@MOLECULE vipadenant 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5522 0.7905 0.9459 O.2 1 UNL11111111 -0.0851 2 N 0.4837 -1.1565 -1.5422 N.ar 1 UNL11111111 -0.2345 3 N -0.1475 -2.2976 -1.0727 N.ar 1 UNL11111111 0.0016 4 N -1.2632 -2.0105 -0.5232 N.ar 1 UNL11111111 -0.1346 5 N -0.0888 1.2603 -1.4074 N.ar 1 UNL11111111 -0.5522 6 N -2.2669 1.5894 -0.2902 N.ar 1 UNL11111111 -0.5273 7 N 5.2268 0.1871 2.4124 N.pl3 1 UNL11111111 -0.6253 8 N -0.9964 3.3850 -1.0660 N.pl3 1 UNL11111111 -0.5560 9 C 1.8822 -1.1610 -1.9831 C.3 1 UNL11111111 -0.0383 10 C 2.7869 -0.8046 -0.8392 C.ar 1 UNL11111111 -0.1524 11 C -0.2830 -0.0569 -1.1883 C.ar 1 UNL11111111 0.3073 12 C -1.4469 -0.6211 -0.5377 C.ar 1 UNL11111111 -0.2586 13 C 2.9861 0.5376 -0.5066 C.ar 1 UNL11111111 -0.0847 14 C 3.7692 0.8953 0.5830 C.ar 1 UNL11111111 -0.1007 15 C -2.4425 0.2768 -0.0939 C.ar 1 UNL11111111 0.3566 16 C 3.3848 -1.8075 -0.0786 C.ar 1 UNL11111111 -0.0596 17 C 4.3774 -0.1255 1.3517 C.ar 1 UNL11111111 0.2444 18 C 4.1801 -1.4765 1.0099 C.ar 1 UNL11111111 -0.2938 19 C -3.6363 -0.1856 0.5620 C.ar 1 UNL11111111 -0.0093 20 C 3.9470 2.3341 0.9316 C.3 1 UNL11111111 -0.4318 21 C -1.1138 2.0338 -0.9266 C.ar 1 UNL11111111 0.5512 22 C -4.0949 -1.4367 0.9141 C.ar 1 UNL11111111 -0.1076 23 C -5.3615 -1.2360 1.5516 C.ar 1 UNL11111111 -0.2597 24 C -5.5853 0.1203 1.5428 C.ar 1 UNL11111111 -0.0006 25 H 1.9765 -0.4258 -2.8221 H 1 UNL11111111 0.1684 26 H 2.1173 -2.1712 -2.4012 H 1 UNL11111111 0.1711 27 H 2.4998 1.3148 -1.1038 H 1 UNL11111111 0.1711 28 H 3.2186 -2.8563 -0.3277 H 1 UNL11111111 0.1549 29 H 4.6485 -2.2595 1.5976 H 1 UNL11111111 0.1583 30 H 3.5162 2.5679 1.9157 H 1 UNL11111111 0.1504 31 H 5.0090 2.6194 0.9432 H 1 UNL11111111 0.1521 32 H 3.4514 2.9988 0.2089 H 1 UNL11111111 0.1579 33 H -3.6051 -2.3816 0.7480 H 1 UNL11111111 0.1938 34 H 5.4628 -0.5369 3.0586 H 1 UNL11111111 0.2897 35 H 5.1822 1.1027 2.8076 H 1 UNL11111111 0.2903 36 H -5.9872 -2.0075 1.9464 H 1 UNL11111111 0.1712 37 H -6.3649 0.7603 1.8877 H 1 UNL11111111 0.1692 38 H -1.7350 3.9845 -0.7532 H 1 UNL11111111 0.3283 39 H -0.2149 3.7751 -1.5520 H 1 UNL11111111 0.3242 @BOND 1 1 19 ar 2 1 24 ar 3 2 3 ar 4 2 9 1 5 2 11 ar 6 3 4 ar 7 4 12 ar 8 5 11 ar 9 5 21 ar 10 6 15 ar 11 6 21 ar 12 7 17 1 13 7 34 1 14 7 35 1 15 8 21 1 16 8 38 1 17 8 39 1 18 9 10 1 19 9 25 1 20 9 26 1 21 10 13 ar 22 10 16 ar 23 11 12 ar 24 12 15 ar 25 13 14 ar 26 13 27 1 27 14 17 ar 28 14 20 1 29 15 19 1 30 16 18 ar 31 16 28 1 32 17 18 ar 33 18 29 1 34 19 22 ar 35 20 30 1 36 20 31 1 37 20 32 1 38 22 23 ar 39 22 33 1 40 23 24 ar 41 23 36 1 42 24 37 1