@MOLECULE suvorexant 55 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 7.5276 -0.1072 -1.9968 Cl 1 UNL1 -0.0830 2 O 3.0592 -0.1598 1.6634 O.2 1 UNL1 -0.2808 3 O -3.5469 0.5503 2.2599 O.2 1 UNL1 -0.4949 4 N -1.6840 0.7024 0.9890 N.am 1 UNL1 -0.5139 5 N 0.8933 -0.9956 1.2830 N.pl3 1 UNL1 -0.3747 6 N 2.6194 -0.9253 -0.4635 N.ar 1 UNL1 -0.4885 7 N -3.9518 1.1155 -1.3683 N.ar 1 UNL1 -0.0026 8 N -3.1347 1.5444 -2.3590 N.ar 1 UNL1 -0.2364 9 N -4.5898 2.1161 -0.7267 N.ar 1 UNL1 -0.1910 10 C -1.0700 1.6407 1.9465 C.3 1 UNL1 0.1260 11 C 0.3649 1.2280 2.3476 C.3 1 UNL1 -0.3500 12 C 0.5360 -0.2880 2.5307 C.3 1 UNL1 -0.0755 13 C -0.8624 0.1773 -0.0979 C.3 1 UNL1 -0.1007 14 C -0.1974 -1.1614 0.3038 C.3 1 UNL1 -0.1109 15 C -1.0610 3.0513 1.3382 C.3 1 UNL1 -0.4792 16 C -2.9572 0.2332 1.2472 C.2 1 UNL1 0.5714 17 C 2.1206 -0.6922 0.7485 C.ar 1 UNL1 0.4723 18 C -3.5664 -0.6961 0.2474 C.ar 1 UNL1 -0.0972 19 C -4.0448 -0.2608 -0.9934 C.ar 1 UNL1 0.1441 20 C -3.6858 -2.0383 0.5939 C.ar 1 UNL1 -0.1567 21 C 3.9736 -0.5564 -0.3895 C.ar 1 UNL1 0.1205 22 C 4.2323 -0.0828 0.9343 C.ar 1 UNL1 0.0599 23 C -4.2457 -2.9503 -0.3060 C.ar 1 UNL1 0.0744 24 C -4.6011 -1.1653 -1.9034 C.ar 1 UNL1 -0.1216 25 C -4.6914 -2.5089 -1.5551 C.ar 1 UNL1 -0.1638 26 C 4.9964 -0.5747 -1.3277 C.ar 1 UNL1 -0.1695 27 C 5.4594 0.3741 1.3628 C.ar 1 UNL1 -0.1416 28 C -4.3467 -4.3871 0.0697 C.3 1 UNL1 -0.4615 29 C 6.2294 -0.1092 -0.8796 C.ar 1 UNL1 0.0248 30 C 6.4840 0.3551 0.4106 C.ar 1 UNL1 -0.1758 31 C -3.2561 2.8929 -2.3702 C.ar 1 UNL1 -0.1103 32 C -4.1822 3.2564 -1.3331 C.ar 1 UNL1 -0.1238 33 H -1.7119 1.6494 2.8764 H 1 UNL1 0.1718 34 H 0.6222 1.7453 3.2936 H 1 UNL1 0.1596 35 H 1.0993 1.6082 1.6111 H 1 UNL1 0.1612 36 H 1.3324 -0.4999 3.2834 H 1 UNL1 0.1558 37 H -0.4004 -0.7480 2.9249 H 1 UNL1 0.1665 38 H -0.0875 0.9261 -0.3834 H 1 UNL1 0.1668 39 H -1.4707 0.0283 -1.0208 H 1 UNL1 0.1685 40 H -0.9454 -1.8521 0.7558 H 1 UNL1 0.1592 41 H 0.2001 -1.6726 -0.6085 H 1 UNL1 0.1835 42 H -0.4940 3.0954 0.4027 H 1 UNL1 0.1522 43 H -0.6302 3.7803 2.0319 H 1 UNL1 0.1541 44 H -2.0854 3.3783 1.1096 H 1 UNL1 0.1657 45 H -3.3511 -2.3746 1.5770 H 1 UNL1 0.1737 46 H -4.9534 -0.8155 -2.8757 H 1 UNL1 0.1780 47 H -5.1178 -3.2191 -2.2629 H 1 UNL1 0.1622 48 H 4.8283 -0.9338 -2.3419 H 1 UNL1 0.1943 49 H 5.6242 0.7283 2.3763 H 1 UNL1 0.1771 50 H -3.3667 -4.8858 0.0001 H 1 UNL1 0.1669 51 H -4.7021 -4.5198 1.1030 H 1 UNL1 0.1657 52 H -5.0364 -4.9501 -0.5738 H 1 UNL1 0.1568 53 H 7.4794 0.7046 0.6869 H 1 UNL1 0.1774 54 H -2.7304 3.5242 -3.0585 H 1 UNL1 0.1955 55 H -4.5308 4.2287 -1.0451 H 1 UNL1 0.1980 @BOND 1 54 31 1 2 46 24 1 3 31 8 ar 4 31 32 ar 5 8 7 ar 6 48 26 1 7 47 25 1 8 1 29 1 9 24 25 ar 10 24 19 ar 11 25 23 ar 12 7 19 1 13 7 9 ar 14 32 55 1 15 32 9 ar 16 26 29 ar 17 26 21 ar 18 39 13 1 19 19 18 ar 20 29 30 ar 21 41 14 1 22 52 28 1 23 6 21 ar 24 6 17 ar 25 21 22 ar 26 38 13 1 27 23 28 1 28 23 20 ar 29 13 14 1 30 13 4 1 31 50 28 1 32 28 51 1 33 18 20 ar 34 18 16 1 35 14 40 1 36 14 5 1 37 42 15 1 38 30 53 1 39 30 27 ar 40 20 45 1 41 17 5 1 42 17 2 ar 43 22 27 ar 44 22 2 ar 45 4 16 am 46 4 10 1 47 44 15 1 48 16 3 2 49 5 12 1 50 15 10 1 51 15 43 1 52 27 49 1 53 35 11 1 54 10 11 1 55 10 33 1 56 11 12 1 57 11 34 1 58 12 37 1 59 12 36 1