HMDB0015361 RDKit 3D Diphenidol 50 52 0 0 0 0 0 0 0 0999 V2000 -1.3998 -0.4193 2.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 0.0417 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.4871 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 1.0410 -0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 1.4464 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 0.2865 -0.2872 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -0.7128 -1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 -1.1908 -1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 -1.3368 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 0.0793 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5618 0.3947 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 1.1890 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 1.9706 2.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 3.0217 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 3.3254 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 2.5715 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3656 1.5217 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 -1.0664 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -2.2122 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -3.2929 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 -3.3102 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -2.2276 -2.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 -1.1433 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -1.1643 2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -0.3258 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0978 1.3025 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 1.9179 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 0.1861 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 1.7966 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 2.2824 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -0.3488 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 -1.6310 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 -2.2059 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5983 -0.5087 -2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 -1.7775 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -1.9285 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 -0.0144 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.7943 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 1.4487 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.3103 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 1.7074 2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 3.6199 3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 4.1433 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 2.7669 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 0.9524 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4431 -2.2524 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3521 -4.1389 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -4.1677 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -2.2695 -3.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 -0.3388 -1.9361 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 2 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 2 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 11 6 1 0 17 12 1 0 23 18 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 M END