@MOLECULE motolimod 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.3846 2.0759 0.6557 O.2 1 UNL1111111111 -0.5161 2 O 5.7587 -1.8019 -0.5737 O.2 1 UNL1111111111 -0.5626 3 N -7.6188 -0.1635 0.5052 N.am 1 UNL1111111111 -0.4897 4 N 6.1623 0.3668 -0.1177 N.am 1 UNL1111111111 -0.4950 5 N 1.3387 -2.1479 -0.3874 N.2 1 UNL1111111111 -0.5451 6 N 2.9583 -3.7820 -0.0643 N.pl3 1 UNL1111111111 -0.5924 7 C -8.3679 -1.8804 -1.0094 C.3 1 UNL1111111111 -0.2864 8 C -9.6122 -1.2143 -0.3955 C.3 1 UNL1111111111 -0.2876 9 C -7.1845 -1.4178 -0.1352 C.3 1 UNL1111111111 -0.0691 10 C -9.0916 -0.0492 0.4733 C.3 1 UNL1111111111 -0.0647 11 C -6.8589 0.9958 0.4712 C.2 1 UNL1111111111 0.5596 12 C -5.3872 0.8377 0.3045 C.ar 1 UNL1111111111 -0.1225 13 C 7.5992 0.1607 -0.3482 C.3 1 UNL1111111111 -0.0587 14 C 5.7613 1.6400 0.4863 C.3 1 UNL1111111111 -0.0668 15 C -4.6332 0.1711 1.2687 C.ar 1 UNL1111111111 -0.1153 16 C -4.7768 1.3990 -0.8161 C.ar 1 UNL1111111111 -0.1120 17 C 3.8652 -0.5593 0.0444 C.2 1 UNL1111111111 -0.1415 18 C -2.6379 0.6075 -0.0206 C.ar 1 UNL1111111111 0.0101 19 C 5.3181 -0.7125 -0.2356 C.2 1 UNL1111111111 0.5776 20 C -1.1822 0.4976 -0.1788 C.ar 1 UNL1111111111 0.0176 21 C 3.3449 -1.5842 0.9949 C.3 1 UNL1111111111 -0.3269 22 C 8.3016 -0.3760 0.9142 C.3 1 UNL1111111111 -0.2835 23 C 5.6530 2.7411 -0.5884 C.3 1 UNL1111111111 -0.2708 24 C 1.6084 0.3180 -0.4460 C.ar 1 UNL1111111111 -0.1337 25 C -3.2564 0.0524 1.1040 C.ar 1 UNL1111111111 -0.1544 26 C -3.3997 1.2792 -0.9807 C.ar 1 UNL1111111111 -0.1553 27 C 3.0547 0.2942 -0.6029 C.2 1 UNL1111111111 -0.0895 28 C 0.8305 -0.8518 -0.2932 C.ar 1 UNL1111111111 0.2403 29 C -0.5709 -0.7455 -0.1623 C.ar 1 UNL1111111111 -0.2071 30 C -0.4122 1.6611 -0.3433 C.ar 1 UNL1111111111 -0.2042 31 C 0.9604 1.5637 -0.4850 C.ar 1 UNL1111111111 -0.0989 32 C 2.4846 -2.4926 0.1351 C.2 1 UNL1111111111 0.4389 33 C 9.8019 -0.4992 0.6676 C.3 1 UNL1111111111 -0.4379 34 C 5.0453 4.0028 0.0158 C.3 1 UNL1111111111 -0.4399 35 H -8.2292 -1.5631 -2.0570 H 1 UNL1111111111 0.1445 36 H -8.4560 -2.9771 -1.0239 H 1 UNL1111111111 0.1434 37 H -10.1815 -1.9331 0.2169 H 1 UNL1111111111 0.1419 38 H -10.3020 -0.8553 -1.1752 H 1 UNL1111111111 0.1429 39 H -6.9639 -2.1586 0.6650 H 1 UNL1111111111 0.1433 40 H -6.2575 -1.2841 -0.7272 H 1 UNL1111111111 0.1432 41 H -9.4047 0.9407 0.0743 H 1 UNL1111111111 0.1561 42 H -9.4687 -0.1114 1.5161 H 1 UNL1111111111 0.1443 43 H 8.0559 1.1187 -0.6763 H 1 UNL1111111111 0.1340 44 H 7.7272 -0.5665 -1.1876 H 1 UNL1111111111 0.1662 45 H 6.5035 1.9371 1.2618 H 1 UNL1111111111 0.1374 46 H 4.7895 1.5269 1.0190 H 1 UNL1111111111 0.1509 47 H -5.1211 -0.2504 2.1475 H 1 UNL1111111111 0.1614 48 H -5.3750 1.9368 -1.5520 H 1 UNL1111111111 0.1624 49 H 2.7313 -1.1228 1.8004 H 1 UNL1111111111 0.1822 50 H 4.1509 -2.1352 1.5224 H 1 UNL1111111111 0.1817 51 H 8.1039 0.2831 1.7780 H 1 UNL1111111111 0.1345 52 H 7.8724 -1.3641 1.1787 H 1 UNL1111111111 0.1577 53 H 6.6505 2.9569 -1.0147 H 1 UNL1111111111 0.1406 54 H 5.0422 2.3856 -1.4405 H 1 UNL1111111111 0.1484 55 H -2.6583 -0.4643 1.8534 H 1 UNL1111111111 0.1618 56 H -2.9142 1.7088 -1.8559 H 1 UNL1111111111 0.1615 57 H 3.4614 1.0293 -1.3071 H 1 UNL1111111111 0.1655 58 H -1.1575 -1.6593 -0.0599 H 1 UNL1111111111 0.1794 59 H -0.9015 2.6327 -0.3510 H 1 UNL1111111111 0.1614 60 H 1.5548 2.4678 -0.6195 H 1 UNL1111111111 0.1505 61 H 10.0163 -1.1703 -0.1734 H 1 UNL1111111111 0.1493 62 H 10.2588 0.4711 0.4443 H 1 UNL1111111111 0.1411 63 H 10.3146 -0.9081 1.5463 H 1 UNL1111111111 0.1457 64 H 4.0374 3.8216 0.4081 H 1 UNL1111111111 0.1476 65 H 5.6547 4.3930 0.8390 H 1 UNL1111111111 0.1430 66 H 4.9637 4.8002 -0.7327 H 1 UNL1111111111 0.1464 67 H 3.9625 -3.8858 -0.0690 H 1 UNL1111111111 0.3118 68 H 2.4742 -4.3513 -0.7401 H 1 UNL1111111111 0.3016 @BOND 1 1 11 2 2 2 19 2 3 3 9 1 4 3 10 1 5 3 11 am 6 4 13 1 7 4 14 1 8 4 19 am 9 5 28 1 10 5 32 2 11 6 32 1 12 6 67 1 13 6 68 1 14 7 8 1 15 7 9 1 16 7 35 1 17 7 36 1 18 8 10 1 19 8 37 1 20 8 38 1 21 9 39 1 22 9 40 1 23 10 41 1 24 10 42 1 25 11 12 1 26 12 15 ar 27 12 16 ar 28 13 22 1 29 13 43 1 30 13 44 1 31 14 23 1 32 14 45 1 33 14 46 1 34 15 25 ar 35 15 47 1 36 16 26 ar 37 16 48 1 38 17 19 1 39 17 21 1 40 17 27 2 41 18 20 1 42 18 25 ar 43 18 26 ar 44 20 29 ar 45 20 30 ar 46 21 32 1 47 21 49 1 48 21 50 1 49 22 33 1 50 22 51 1 51 22 52 1 52 23 34 1 53 23 53 1 54 23 54 1 55 24 27 1 56 24 28 ar 57 24 31 ar 58 25 55 1 59 26 56 1 60 27 57 1 61 28 29 ar 62 29 58 1 63 30 31 ar 64 30 59 1 65 31 60 1 66 33 61 1 67 33 62 1 68 33 63 1 69 34 64 1 70 34 65 1 71 34 66 1