HMDB0014486 RDKit 3D Terfenadine 76 79 0 0 0 0 0 0 0 0999 V2000 9.2393 -1.0352 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 0.1255 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9476 0.8709 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3732 1.0680 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9764 -0.2139 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4753 -0.1389 1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 -0.3817 1.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 -0.7041 0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.8481 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 0.2667 1.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -0.7955 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.8480 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 0.2913 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3736 0.4082 0.3581 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 0.8039 -0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -0.2431 -1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6715 -0.9161 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9991 -0.2227 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2012 -0.3786 -2.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1556 -0.9397 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -2.3053 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3077 -2.9680 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3889 -2.2436 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3346 -0.8660 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2228 -0.2031 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 1.2050 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9747 2.1491 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9879 3.4806 -1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0312 3.9581 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0626 3.0582 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 1.6936 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 -1.1513 0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1914 -0.2741 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 -0.7884 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 -0.5380 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -1.7155 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6527 -1.5396 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -0.6291 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8786 1.3948 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1405 0.1887 1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2145 1.6538 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 1.2554 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 0.6359 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 2.0252 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 0.1146 2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.3214 2.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 -1.7805 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 0.0392 2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5331 -1.7008 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 0.0534 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 -0.7443 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 -1.8123 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 0.2302 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 1.2362 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 1.8074 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 0.9410 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -1.0053 -1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 0.2005 -2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 -1.9293 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0799 0.0929 -2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 -2.9565 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3501 -4.0464 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2623 -2.7702 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1857 -0.3131 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2898 0.8875 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9429 1.7837 -2.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 4.1636 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0355 5.0259 0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 3.4685 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 1.0393 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -1.1447 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -2.2078 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -0.8363 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 0.4819 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2012 -1.0327 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -0.6098 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 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 1 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 18 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 17 32 1 0 32 33 1 0 8 34 1 0 34 35 2 0 35 5 1 0 33 14 1 0 25 20 1 0 31 26 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 4 44 1 0 6 45 1 0 7 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 19 60 1 0 21 61 1 0 22 62 1 0 23 63 1 0 24 64 1 0 25 65 1 0 27 66 1 0 28 67 1 0 29 68 1 0 30 69 1 0 31 70 1 0 32 71 1 0 32 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 35 76 1 0 M END