HMDB0081244 RDKit 3D CL(i-12:0/i-19:0/i-20:0/a-17:0)[rac] 246245 0 0 0 0 0 0 0 0999 V2000 2.3457 -3.2750 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -4.0295 2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -5.2135 2.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -6.1725 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -5.1031 2.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -4.2763 3.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -2.8147 3.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 -2.0875 4.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8526 -0.6302 4.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -0.0604 4.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -0.4218 6.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 0.2398 6.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.1081 7.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 0.5148 7.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8026 0.1743 6.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 0.9210 6.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 0.6944 5.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3042 0.2558 6.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 0.8905 4.2775 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 0.6709 3.4813 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2864 -0.3693 2.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0979 -1.6870 2.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1698 -2.7022 1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3971 -2.3294 0.7038 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9994 -4.1343 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -4.9327 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2073 -6.3827 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5723 -7.2403 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6787 -7.0249 -1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1239 -7.9175 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 -7.7698 -3.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -6.3748 -3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2684 -6.4239 -5.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 -5.0744 -5.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -5.2697 -7.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 -3.9521 -7.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -4.1466 -8.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -2.8249 -9.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -1.9279 -8.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -2.5442 -8.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 -2.8366 -9.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -3.4708 -8.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -1.5883 -10.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7888 1.9817 2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8096 2.5378 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3173 3.9765 1.3113 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5112 4.5303 2.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7632 3.6781 -0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 5.0879 1.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 6.1962 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 7.1924 0.6474 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9461 7.6841 1.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 6.5713 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 7.5789 0.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 6.9551 -0.3270 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5815 6.7791 -1.8294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 8.1295 0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 5.5485 0.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 5.5495 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 4.2034 1.7694 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1265 4.1180 2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 5.0882 3.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 5.1147 4.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 4.2426 4.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 6.0790 5.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 5.5776 6.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 5.3983 6.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 6.7162 6.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 6.7122 6.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7318 5.8638 4.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 5.9802 4.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7616 5.1957 3.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 5.6868 2.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 7.1431 2.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 4.9193 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 3.2094 0.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 2.1169 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 1.9063 1.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.1323 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 1.8368 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 0.9179 -2.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.7471 -3.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.9056 -4.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 1.8548 -5.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 1.2817 -6.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.3033 -6.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 0.9971 -5.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 0.1903 -5.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 -1.0918 -4.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 -0.9515 -3.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -2.2988 -2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 -2.2049 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -1.8761 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 -2.9828 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -4.3039 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7354 -2.7130 -2.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 -2.2100 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -3.7289 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -3.3638 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -4.5113 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -3.3803 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 -5.7431 3.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 -5.5743 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -6.9209 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -6.6572 1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -4.7553 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 -6.1582 2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -4.6615 4.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8114 -4.3427 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 -2.4672 2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2964 -2.6581 3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 -2.5666 5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 -2.3130 4.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -0.2389 5.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 -0.1020 3.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -0.1977 3.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 1.0629 4.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -1.5216 6.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 -0.0969 7.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 1.3422 6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 -0.0214 5.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -1.2219 7.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 0.2532 8.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 0.3752 8.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 1.6312 7.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 0.4996 5.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -0.9159 6.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 0.5716 7.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 2.0134 6.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 0.3476 4.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 -0.0675 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2876 -0.3379 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -4.3994 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 -4.4668 3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3212 -4.6586 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -4.6753 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8521 -6.5736 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -6.5531 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5158 -8.3305 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6531 -7.0863 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -5.9855 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -7.3327 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1918 -7.7117 -2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0872 -8.9727 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5447 -8.5036 -4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 -8.0599 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1892 -6.0647 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -5.7121 -3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 -6.8971 -4.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7748 -7.0747 -5.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0525 -4.6883 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5465 -4.3820 -5.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7411 -5.9100 -7.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 -5.7468 -6.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -3.3739 -7.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -3.3276 -6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1443 -4.7248 -8.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 -4.7311 -9.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6694 -2.2968 -9.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -2.9475 -10.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 -1.6463 -7.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 -0.9937 -9.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -3.4890 -7.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -1.7698 -7.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -3.5350 -10.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -3.4375 -9.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -2.8568 -7.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 -4.5258 -8.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 -1.7212 -11.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 -1.2615 -9.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -0.7560 -9.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6663 1.7558 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 2.6844 3.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5337 4.2847 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 6.6997 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4835 5.9547 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 8.0348 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 8.5607 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 5.7348 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 6.2297 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 7.7176 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 6.3267 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 5.6560 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 4.0832 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 3.1060 3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 4.2790 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 7.0923 5.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 6.0996 6.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 4.5992 7.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 6.2268 7.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 4.9225 7.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 4.6629 5.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 7.1668 5.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 7.3911 7.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 7.7714 5.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 6.3468 6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 4.8159 4.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 6.2363 3.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 7.0786 4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7069 5.6814 5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4562 4.1238 3.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8746 5.2262 3.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 5.5061 2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 7.8260 2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7237 7.3275 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 7.3579 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 4.9891 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6834 3.8440 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 5.3745 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 0.9268 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 0.1990 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 2.7036 -2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 2.2247 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 0.1492 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 0.5130 -3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 2.1951 -3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 2.5793 -4.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 0.4397 -5.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 0.1111 -4.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 2.5493 -5.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 2.5473 -6.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 0.8175 -7.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 2.1316 -7.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8414 0.0409 -7.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -0.6182 -6.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 1.8917 -6.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 1.4499 -4.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 0.0586 -6.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 0.8365 -4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3837 -1.4778 -4.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 -1.9009 -5.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -0.5421 -3.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 -0.2242 -2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 -3.0410 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 -2.6407 -2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -3.1514 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 -1.3544 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -0.9235 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 -1.7882 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 -3.0987 -3.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -4.9736 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 -4.6999 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 -4.1017 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 -2.1151 -1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 -3.6791 -2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -2.1773 -3.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 20 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 60 76 1 0 76 77 1 0 77 78 2 0 77 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 94 96 1 0 1 97 1 0 1 98 1 0 1 99 1 0 2100 1 0 2101 1 0 3102 1 0 4103 1 0 4104 1 0 4105 1 0 5106 1 0 5107 1 0 6108 1 0 6109 1 0 7110 1 0 7111 1 0 8112 1 0 8113 1 0 9114 1 0 9115 1 0 10116 1 0 10117 1 0 11118 1 0 11119 1 0 12120 1 0 12121 1 0 13122 1 0 13123 1 0 14124 1 0 14125 1 0 15126 1 0 15127 1 0 16128 1 0 16129 1 0 20130 1 1 21131 1 0 21132 1 0 25133 1 0 25134 1 0 26135 1 0 26136 1 0 27137 1 0 27138 1 0 28139 1 0 28140 1 0 29141 1 0 29142 1 0 30143 1 0 30144 1 0 31145 1 0 31146 1 0 32147 1 0 32148 1 0 33149 1 0 33150 1 0 34151 1 0 34152 1 0 35153 1 0 35154 1 0 36155 1 0 36156 1 0 37157 1 0 37158 1 0 38159 1 0 38160 1 0 39161 1 0 39162 1 0 40163 1 0 40164 1 0 41165 1 0 42166 1 0 42167 1 0 42168 1 0 43169 1 0 43170 1 0 43171 1 0 44172 1 0 44173 1 0 48174 1 0 50175 1 0 50176 1 0 51177 1 6 52178 1 0 53179 1 0 53180 1 0 57181 1 0 59182 1 0 59183 1 0 60184 1 1 61185 1 0 61186 1 0 65187 1 0 65188 1 0 66189 1 0 66190 1 0 67191 1 0 67192 1 0 68193 1 0 68194 1 0 69195 1 0 69196 1 0 70197 1 0 70198 1 0 71199 1 0 71200 1 0 72201 1 0 72202 1 0 73203 1 0 74204 1 0 74205 1 0 74206 1 0 75207 1 0 75208 1 0 75209 1 0 79210 1 0 79211 1 0 80212 1 0 80213 1 0 81214 1 0 81215 1 0 82216 1 0 82217 1 0 83218 1 0 83219 1 0 84220 1 0 84221 1 0 85222 1 0 85223 1 0 86224 1 0 86225 1 0 87226 1 0 87227 1 0 88228 1 0 88229 1 0 89230 1 0 89231 1 0 90232 1 0 90233 1 0 91234 1 0 91235 1 0 92236 1 0 92237 1 0 93238 1 0 93239 1 0 94240 1 0 95241 1 0 95242 1 0 95243 1 0 96244 1 0 96245 1 0 96246 1 0 M END