HMDB0253588 RDKit 3D Irtemazole 38 41 0 0 0 0 0 0 0 0999 V2000 5.7372 -2.3094 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -1.7458 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 -1.9541 1.6534 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -1.2772 1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -1.1320 2.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 -0.3589 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 0.3046 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 1.1539 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6665 0.4395 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 -0.1407 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -0.8381 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.9368 -2.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -0.3576 -3.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 0.3355 -2.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 1.8855 0.7335 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8193 2.3426 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1428 2.9707 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 2.8746 2.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 2.2050 1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 0.1594 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -0.6162 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 -0.9256 -0.2071 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 -3.4041 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1991 -1.8736 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 -2.0565 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -1.6560 3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 -0.2463 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 1.9375 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -0.0957 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -1.2894 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 -1.4864 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 -0.4625 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 0.7911 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 2.2118 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 3.4499 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 2.0082 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.6545 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 -0.5614 -1.0960 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 7 20 1 0 20 21 2 0 21 22 1 0 22 2 1 0 21 4 1 0 14 9 1 0 19 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 22 38 1 0 M END