HMDB0002140 RDKit 3D Pteroyl-D-glutamic acid 57 59 0 0 0 0 0 0 0 0999 V2000 -8.8192 -1.2990 -2.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6211 -0.9985 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -1.8907 -0.6371 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 -1.6650 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -2.5705 0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 -0.4517 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9142 0.4789 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0355 0.2277 -1.5702 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 1.7745 -0.9145 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4986 2.2820 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 1.2767 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 1.5101 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 1.5409 -0.3992 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 1.2305 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 -0.0108 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -0.3990 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 0.4510 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 -0.1857 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 -0.0027 1.8329 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 -0.9988 -0.1544 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 -1.7130 0.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9290 -1.2197 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 0.2321 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 0.7483 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 0.0287 -0.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 2.0998 0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 -3.1379 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1517 -3.6996 -0.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 -3.8009 0.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 1.6434 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 2.0303 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -0.1148 0.7166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 -1.0823 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 -2.2943 0.9139 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6141 -1.7307 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9196 -1.0920 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4265 0.9453 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5101 2.3877 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 2.9730 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 2.9767 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 1.4674 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 0.8988 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 2.5784 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 1.7487 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 -0.6330 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -1.3594 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -1.1363 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -1.6736 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 -1.3802 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7097 -1.8508 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9623 0.3766 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3412 0.8052 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2074 2.8396 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -3.6358 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9411 2.3378 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 3.0073 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -0.8705 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 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 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 21 27 1 0 27 28 2 0 27 29 1 0 17 30 1 0 30 31 2 0 11 32 1 0 32 33 1 0 33 34 2 0 8 2 1 0 31 14 1 0 32 6 1 0 1 35 1 0 1 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 15 45 1 0 16 46 1 0 20 47 1 0 21 48 1 1 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 26 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 33 57 1 0 M END