HMDB0255668 RDKit 3D Nitroxazepine 44 46 0 0 0 0 0 0 0 0999 V2000 5.6794 -0.8818 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 -0.6252 0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 -1.8109 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -0.3624 0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -0.0922 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 0.1690 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 0.4476 0.4534 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -0.6592 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5372 -1.7874 0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -0.7314 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 -1.9965 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 -2.2125 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9674 -3.5254 0.0323 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.1772 -3.7437 -0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1589 -4.5735 0.3720 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3052 -1.1747 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 0.0866 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 0.3090 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0447 1.6302 -0.5987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 2.3183 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 3.6700 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 4.4987 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 4.0020 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 2.6319 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 1.8026 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -1.9715 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 -0.5065 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 -0.3378 0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -2.5460 -0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -2.3424 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 -1.5116 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 0.4532 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -1.2787 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 0.5893 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -1.0894 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 -0.8567 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 0.7435 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.7881 0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3811 -1.3428 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 0.8935 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 4.0618 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 5.5815 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 4.6218 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 2.2374 0.7002 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 7 1 0 18 10 1 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 11 38 1 0 16 39 1 0 17 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 M CHG 2 13 1 15 -1 M END