HMDB0245941 RDKit 3D 3-N-(2-Fluoroethyl)spiperone 61 64 0 0 0 0 0 0 0 0999 V2000 4.4718 1.2868 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9651 0.1744 -0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -1.0483 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -0.8782 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -0.0173 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 0.1030 -0.3122 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -1.1385 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -1.0257 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 0.2424 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 0.9252 0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 1.1912 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 1.1477 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 1.4677 -2.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 1.5225 -1.4695 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 2.0493 -2.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 3.5781 -2.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 3.9870 -2.7067 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3622 1.2545 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 0.0612 0.2542 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3016 -1.0091 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6494 -1.2890 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2913 -2.3172 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 -3.1189 2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 -2.8824 2.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.8290 1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 0.1411 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 1.3066 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 1.2680 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 0.0789 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 0.0942 1.3208 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3122 -1.0719 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -1.0597 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 -1.5995 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6439 -1.7136 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -1.8964 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.4471 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -0.4945 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 0.9822 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2959 -1.8399 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0341 -1.6467 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -1.8935 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -1.0952 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 1.8980 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 0.3092 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 2.0759 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 1.5201 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 1.5870 -3.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 1.8034 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 3.9510 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 3.9038 -3.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1531 2.1047 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 1.1546 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2355 -0.6917 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3505 -2.5241 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1387 -3.9427 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 -3.4958 3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -1.6977 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 2.2649 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0057 2.1854 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -2.0058 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -1.9507 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 14 18 1 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 2 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 11 6 1 0 25 20 1 0 32 26 1 0 19 9 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 27 58 1 0 28 59 1 0 31 60 1 0 32 61 1 0 M END