HMDB0259875 RDKit 3D VORTIOXETINE 43 45 0 0 0 0 0 0 0 0999 V2000 6.1537 0.2035 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6837 0.3180 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -0.0039 -1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 0.0840 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 0.4980 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 0.5903 -0.2964 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -0.9697 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3481 -2.0143 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 -3.2458 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -3.4380 1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 -2.3759 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -1.1420 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7451 -0.0709 0.0669 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 1.2169 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 2.2688 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3889 2.0787 -0.7929 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8542 0.7275 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 -0.2655 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 0.8185 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 1.2646 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 0.7260 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 0.6081 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.7758 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -0.8680 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.3281 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 -0.1790 -2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 -1.8734 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -4.0707 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -4.4019 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3822 -2.5282 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5864 1.2101 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 1.4140 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 3.3035 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 2.1871 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0851 2.7072 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 0.4663 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 0.5973 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 -1.2939 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 -0.1164 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 1.2564 2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 0.5669 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 2.3233 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 0.9748 1.4438 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 5 19 1 0 19 20 1 0 19 21 2 0 21 2 1 0 12 7 1 0 18 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 M END