@MOLECULE nelotanserin 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.8336 2.1026 1.0223 Br 1 UNL111111111 -0.0002 2 F 5.2622 1.8971 -1.7731 F 1 UNL111111111 -0.1589 3 F 8.8181 -0.4462 0.1237 F 1 UNL111111111 -0.1590 4 O -3.4149 -2.8430 0.4529 O.3 1 UNL111111111 -0.3616 5 O 2.7599 -1.3299 0.4802 O.2 1 UNL111111111 -0.5195 6 N -4.3373 -0.7740 -1.7525 N.ar 1 UNL111111111 -0.0463 7 N 1.1644 0.2755 0.0265 N.am 1 UNL111111111 -0.5743 8 N -5.4427 -0.0471 -2.0259 N.ar 1 UNL111111111 -0.2465 9 N 3.4480 0.8144 0.0286 N.am 1 UNL111111111 -0.5753 10 C -2.3611 -0.7728 -0.2095 C.ar 1 UNL111111111 -0.0560 11 C -3.6011 -0.2227 -0.7184 C.ar 1 UNL111111111 0.0325 12 C -1.1859 -0.0317 -0.3272 C.ar 1 UNL111111111 -0.2037 13 C -2.3125 -2.0275 0.4086 C.ar 1 UNL111111111 0.1738 14 C 0.0220 -0.5488 0.1693 C.ar 1 UNL111111111 0.2050 15 C -4.3037 0.9298 -0.3270 C.ar 1 UNL111111111 -0.2014 16 C -1.1143 -2.5480 0.8996 C.ar 1 UNL111111111 -0.1654 17 C 0.0561 -1.8106 0.7812 C.ar 1 UNL111111111 -0.1665 18 C -4.0489 -1.9820 -2.5056 C.3 1 UNL111111111 -0.2401 19 C -5.4468 1.0047 -1.1636 C.ar 1 UNL111111111 -0.0623 20 C 2.4714 -0.1892 0.1918 C.2 1 UNL111111111 0.7218 21 C 4.8174 0.4575 0.0399 C.ar 1 UNL111111111 0.1124 22 C -4.3756 -2.4450 1.4291 C.3 1 UNL111111111 -0.1908 23 C 5.7195 1.0431 -0.8704 C.ar 1 UNL111111111 0.1425 24 C 5.3216 -0.4532 0.9815 C.ar 1 UNL111111111 -0.1033 25 C 7.0809 0.7627 -0.8606 C.ar 1 UNL111111111 -0.2544 26 C 6.6765 -0.7646 1.0094 C.ar 1 UNL111111111 -0.2155 27 C 7.5285 -0.1514 0.0918 C.ar 1 UNL111111111 0.2025 28 H -1.2194 0.9455 -0.8090 H 1 UNL111111111 0.1734 29 H -1.1100 -3.5312 1.3700 H 1 UNL111111111 0.1758 30 H 0.9921 -2.2234 1.1697 H 1 UNL111111111 0.2010 31 H 0.9908 1.2462 -0.2096 H 1 UNL111111111 0.3199 32 H -3.0940 -1.8758 -3.0544 H 1 UNL111111111 0.1644 33 H -3.9689 -2.8516 -1.8194 H 1 UNL111111111 0.1819 34 H -4.8550 -2.1882 -3.2380 H 1 UNL111111111 0.1823 35 H -6.2294 1.7421 -1.1742 H 1 UNL111111111 0.1919 36 H 3.2051 1.6988 -0.3990 H 1 UNL111111111 0.3193 37 H 4.6400 -0.9280 1.6960 H 1 UNL111111111 0.1955 38 H -3.9361 -2.4803 2.4304 H 1 UNL111111111 0.1347 39 H -4.7709 -1.4476 1.2101 H 1 UNL111111111 0.1407 40 H -5.1585 -3.2048 1.3155 H 1 UNL111111111 0.1504 41 H 7.7639 1.2307 -1.5705 H 1 UNL111111111 0.1965 42 H 7.0596 -1.4785 1.7394 H 1 UNL111111111 0.1827 @BOND 1 1 15 1 2 2 23 1 3 3 27 1 4 4 13 1 5 4 22 1 6 5 20 2 7 6 8 ar 8 6 11 ar 9 6 18 1 10 7 14 1 11 7 20 am 12 7 31 1 13 8 19 ar 14 9 20 am 15 9 21 1 16 9 36 1 17 10 11 1 18 10 12 ar 19 10 13 ar 20 11 15 ar 21 12 14 ar 22 12 28 1 23 13 16 ar 24 14 17 ar 25 15 19 ar 26 16 17 ar 27 16 29 1 28 17 30 1 29 18 32 1 30 18 33 1 31 18 34 1 32 19 35 1 33 21 23 ar 34 21 24 ar 35 22 38 1 36 22 39 1 37 22 40 1 38 23 25 ar 39 24 26 ar 40 24 37 1 41 25 27 ar 42 25 41 1 43 26 27 ar 44 26 42 1