@MOLECULE fosdevirine 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.3029 -2.2343 1.9804 Cl 1 UNL1111111111 -0.0866 2 P 1.8752 0.5784 0.7980 P.3 1 UNL1111111111 0.1208 3 O 1.3806 0.1595 2.2885 O.3 1 UNL1111111111 -0.2640 4 O 3.2962 0.9991 0.7375 O.2 1 UNL1111111111 -0.4120 5 O 3.6622 -2.1526 -2.6613 O.2 1 UNL1111111111 -0.5659 6 N 1.4408 -2.7975 -1.3193 N.ar 1 UNL1111111111 -0.3157 7 N 4.5286 -0.8865 -1.0131 N.am 1 UNL1111111111 -0.6139 8 N -5.6287 0.6153 -2.2022 N.1 1 UNL1111111111 -0.2467 9 C 1.4444 -0.9655 0.0343 C.ar 1 UNL1111111111 -0.0657 10 C 0.2141 -1.6964 0.2624 C.ar 1 UNL1111111111 0.0024 11 C 2.1808 -1.6879 -0.9152 C.ar 1 UNL1111111111 0.0937 12 C 0.2374 -2.8211 -0.6268 C.ar 1 UNL1111111111 0.0734 13 C 0.7165 1.8716 0.2370 C.ar 1 UNL1111111111 0.0179 14 C -0.8933 -1.5369 1.1138 C.ar 1 UNL1111111111 -0.1353 15 C 1.1485 3.2056 0.2314 C.ar 1 UNL1111111111 -0.0937 16 C -0.5925 1.5637 -0.1676 C.ar 1 UNL1111111111 -0.0945 17 C -0.8243 -3.7375 -0.7171 C.ar 1 UNL1111111111 -0.1676 18 C 0.2670 4.2235 -0.1554 C.ar 1 UNL1111111111 0.0104 19 C 3.5040 -1.5618 -1.6003 C.2 1 UNL1111111111 0.5802 20 C -1.4665 2.5854 -0.5479 C.ar 1 UNL1111111111 -0.0505 21 C -1.9215 -2.4427 0.9900 C.ar 1 UNL1111111111 -0.0062 22 C -1.9173 -3.5316 0.0975 C.ar 1 UNL1111111111 -0.1422 23 C -1.0366 3.9163 -0.5341 C.ar 1 UNL1111111111 -0.1464 24 C 1.5159 1.0650 3.3937 C.3 1 UNL1111111111 -0.1734 25 C 0.7457 5.6350 -0.1622 C.3 1 UNL1111111111 -0.4552 26 C -2.8379 2.2753 -0.9447 C.2 1 UNL1111111111 -0.0620 27 C -3.1909 1.1287 -1.5496 C.2 1 UNL1111111111 -0.1887 28 C -4.5340 0.8518 -1.9064 C.1 1 UNL1111111111 0.1175 29 H 1.7312 -3.4292 -2.0444 H 1 UNL1111111111 0.3405 30 H -0.9268 -0.7334 1.8549 H 1 UNL1111111111 0.1910 31 H 2.1708 3.4941 0.5145 H 1 UNL1111111111 0.1774 32 H -0.9742 0.5363 -0.1976 H 1 UNL1111111111 0.1713 33 H -0.7787 -4.5746 -1.4077 H 1 UNL1111111111 0.1646 34 H -2.7733 -4.2069 0.0593 H 1 UNL1111111111 0.1723 35 H -1.7200 4.7112 -0.8299 H 1 UNL1111111111 0.1569 36 H 1.2040 0.3893 4.2108 H 1 UNL1111111111 0.1430 37 H 0.8310 1.9204 3.3306 H 1 UNL1111111111 0.1217 38 H 2.5442 1.4070 3.5766 H 1 UNL1111111111 0.1377 39 H 1.1991 5.9165 0.8001 H 1 UNL1111111111 0.1612 40 H 1.5129 5.7892 -0.9375 H 1 UNL1111111111 0.1659 41 H -0.0559 6.3586 -0.3600 H 1 UNL1111111111 0.1556 42 H -3.5807 3.0476 -0.7174 H 1 UNL1111111111 0.1610 43 H 4.4160 -0.3218 -0.1797 H 1 UNL1111111111 0.3481 44 H 5.3991 -0.7986 -1.5043 H 1 UNL1111111111 0.3117 45 H -2.4673 0.3449 -1.8073 H 1 UNL1111111111 0.1897 @BOND 1 1 21 1 2 2 3 1 3 2 4 2 4 2 9 1 5 2 13 1 6 3 24 1 7 5 19 2 8 6 11 ar 9 6 12 ar 10 6 29 1 11 7 19 am 12 7 43 1 13 7 44 1 14 8 28 3 15 9 10 ar 16 9 11 ar 17 10 12 ar 18 10 14 ar 19 11 19 1 20 12 17 ar 21 13 15 ar 22 13 16 ar 23 14 21 ar 24 14 30 1 25 15 18 ar 26 15 31 1 27 16 20 ar 28 16 32 1 29 17 22 ar 30 17 33 1 31 18 23 ar 32 18 25 1 33 20 23 ar 34 20 26 1 35 21 22 ar 36 22 34 1 37 23 35 1 38 24 36 1 39 24 37 1 40 24 38 1 41 25 39 1 42 25 40 1 43 25 41 1 44 26 27 2 45 26 42 1 46 27 28 1 47 27 45 1