@MOLECULE ravuconazole 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1285 -2.9339 1.0730 S.2 1 UNL1111111111 0.2549 2 F 2.2379 1.0224 -2.0321 F 1 UNL1111111111 -0.1705 3 F 6.7838 0.1419 -1.5943 F 1 UNL1111111111 -0.1553 4 O 1.5899 -1.2754 1.4818 O.3 1 UNL1111111111 -0.5655 5 N 1.6572 1.7666 1.1217 N.ar 1 UNL1111111111 -0.1503 6 N -1.6711 -0.9053 -0.4319 N.ar 1 UNL1111111111 -0.4130 7 N 2.2642 1.5088 2.3143 N.ar 1 UNL1111111111 -0.3163 8 N 2.9719 3.5080 1.5176 N.ar 1 UNL1111111111 -0.4048 9 N -8.4626 2.4541 -0.9632 N.1 1 UNL1111111111 -0.2360 10 C 1.5332 -0.5766 0.2605 C.3 1 UNL1111111111 0.3053 11 C 0.6973 -1.4968 -0.6796 C.3 1 UNL1111111111 -0.1138 12 C 0.7831 0.7697 0.5266 C.3 1 UNL1111111111 -0.1497 13 C 2.9301 -0.3756 -0.2750 C.ar 1 UNL1111111111 -0.1876 14 C 1.4193 -2.8243 -0.9067 C.3 1 UNL1111111111 -0.4415 15 C -0.6647 -1.6888 -0.1074 C.ar 1 UNL1111111111 0.0848 16 C 3.2230 0.4175 -1.3872 C.ar 1 UNL1111111111 0.2269 17 C 3.9988 -1.0093 0.3685 C.ar 1 UNL1111111111 -0.0415 18 C -2.8579 -1.2558 0.2219 C.ar 1 UNL1111111111 0.1139 19 C 4.5158 0.6187 -1.8657 C.ar 1 UNL1111111111 -0.2950 20 C 5.3092 -0.8397 -0.0678 C.ar 1 UNL1111111111 -0.2596 21 C 2.1046 2.9880 0.6281 C.ar 1 UNL1111111111 0.0908 22 C -2.7464 -2.3321 1.0706 C.ar 1 UNL1111111111 -0.3649 23 C 5.5408 -0.0246 -1.1758 C.ar 1 UNL1111111111 0.2476 24 C -4.0563 -0.4664 -0.0433 C.ar 1 UNL1111111111 0.0273 25 C 3.0581 2.5831 2.5493 C.ar 1 UNL1111111111 0.0883 26 C -5.3233 -1.0255 0.1598 C.ar 1 UNL1111111111 -0.1628 27 C -3.9410 0.8527 -0.5001 C.ar 1 UNL1111111111 -0.1261 28 C -6.4665 -0.2705 -0.0792 C.ar 1 UNL1111111111 -0.1063 29 C -5.0807 1.6112 -0.7398 C.ar 1 UNL1111111111 -0.1154 30 C -6.3443 1.0492 -0.5263 C.ar 1 UNL1111111111 -0.0336 31 C -7.5118 1.8234 -0.7676 C.1 1 UNL1111111111 0.1100 32 H 0.5883 -0.9785 -1.6753 H 1 UNL1111111111 0.1859 33 H -0.0674 0.5618 1.2307 H 1 UNL1111111111 0.1945 34 H 0.3156 1.1735 -0.3995 H 1 UNL1111111111 0.1876 35 H 1.7220 -3.2952 0.0397 H 1 UNL1111111111 0.1710 36 H 2.3381 -2.6784 -1.4910 H 1 UNL1111111111 0.1588 37 H 0.7977 -3.5367 -1.4617 H 1 UNL1111111111 0.1535 38 H 1.9013 -0.6759 2.2086 H 1 UNL1111111111 0.3579 39 H 3.8009 -1.6553 1.2324 H 1 UNL1111111111 0.1836 40 H 4.7148 1.2508 -2.7314 H 1 UNL1111111111 0.2008 41 H 6.1324 -1.3320 0.4492 H 1 UNL1111111111 0.1852 42 H 1.7869 3.4350 -0.2987 H 1 UNL1111111111 0.2059 43 H -3.5238 -2.7609 1.6762 H 1 UNL1111111111 0.1911 44 H 3.6779 2.7177 3.4207 H 1 UNL1111111111 0.2053 45 H -5.4183 -2.0569 0.4981 H 1 UNL1111111111 0.1628 46 H -2.9489 1.2778 -0.6750 H 1 UNL1111111111 0.1824 47 H -7.4540 -0.7056 0.0798 H 1 UNL1111111111 0.1669 48 H -4.9914 2.6389 -1.0938 H 1 UNL1111111111 0.1667 @BOND 1 1 15 ar 2 1 22 ar 3 2 16 1 4 3 23 1 5 4 10 1 6 4 38 1 7 5 7 ar 8 5 12 1 9 5 21 ar 10 6 15 ar 11 6 18 ar 12 7 25 ar 13 8 21 ar 14 8 25 ar 15 9 31 3 16 10 11 1 17 10 12 1 18 10 13 1 19 11 14 1 20 11 15 1 21 11 32 1 22 12 33 1 23 12 34 1 24 13 16 ar 25 13 17 ar 26 14 35 1 27 14 36 1 28 14 37 1 29 16 19 ar 30 17 20 ar 31 17 39 1 32 18 22 ar 33 18 24 1 34 19 23 ar 35 19 40 1 36 20 23 ar 37 20 41 1 38 21 42 1 39 22 43 1 40 24 26 ar 41 24 27 ar 42 25 44 1 43 26 28 ar 44 26 45 1 45 27 29 ar 46 27 46 1 47 28 30 ar 48 28 47 1 49 29 30 ar 50 29 48 1 51 30 31 1