HMDB0015061 RDKit 3D Phenoxybenzamine 43 44 0 0 0 0 0 0 0 0999 V2000 -0.2822 -0.3538 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -0.1949 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 1.1382 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 1.4899 -0.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 0.9804 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 -0.0717 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -0.5865 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -0.0186 -1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9956 1.0402 -2.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 1.5404 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 -0.4720 1.3922 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 -1.8372 1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 -2.8205 1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -2.5134 3.4147 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 0.4341 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 0.6488 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 -0.2361 0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8045 -0.0716 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 0.9589 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 1.8569 -1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 1.6676 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 -1.0031 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 0.6838 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -0.7227 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -0.9901 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 1.9541 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 1.1407 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 -0.5646 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 -1.4323 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5393 -0.4329 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5973 1.4615 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 2.3741 -2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -1.9405 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 -2.1716 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -3.8255 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -2.9233 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3109 0.0573 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 1.4534 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 -1.0683 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6439 -0.7750 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5395 1.0887 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 2.6656 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9312 2.3919 -0.3483 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 10 5 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 M END