@MOLECULE (13r,16ar)-13-[(1r,2s)-1,2-dihydroxyheptyl]-1,4,5,6,7,8,9,10,11,13,16,16a-dodecahydropyrido[2,1-d][1,5,9]triazacyclotridecin-2(3h)-one 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1447 -3.3526 -1.2546 O.3 1 UNL1111111111 -0.5674 2 O 0.4851 -1.4300 -2.1073 O.3 1 UNL1111111111 -0.5620 3 O 0.6452 0.4387 2.0120 O.2 1 UNL1111111111 -0.5486 4 N -1.9963 -0.0828 0.1122 N.3 1 UNL1111111111 -0.4553 5 N -0.4614 2.3354 -1.6448 N.3 1 UNL1111111111 -0.5397 6 N 0.0730 2.5874 1.6226 N.am 1 UNL1111111111 -0.6142 7 C -2.2161 -1.3953 -0.5471 C.3 1 UNL1111111111 0.0211 8 C -2.1067 -0.2604 1.5833 C.3 1 UNL1111111111 0.0729 9 C -0.9497 -2.2803 -0.3406 C.3 1 UNL1111111111 0.0756 10 C -3.5179 -0.7160 2.0224 C.3 1 UNL1111111111 -0.3307 11 C -2.9020 0.9693 -0.4128 C.3 1 UNL1111111111 -0.1086 12 C 0.3590 -1.5472 -0.7065 C.3 1 UNL1111111111 0.1005 13 C -3.4053 -2.1472 -0.0091 C.2 1 UNL1111111111 -0.2014 14 C -1.6655 1.0048 2.3444 C.3 1 UNL1111111111 -0.3954 15 C -3.9925 -1.8345 1.1492 C.2 1 UNL1111111111 -0.1562 16 C -2.7017 1.2738 -1.9120 C.3 1 UNL1111111111 -0.2989 17 C 1.5952 -2.2712 -0.1549 C.3 1 UNL1111111111 -0.3136 18 C -1.2404 1.3136 -2.3889 C.3 1 UNL1111111111 -0.1142 19 C 2.7773 -1.2931 -0.1258 C.3 1 UNL1111111111 -0.2594 20 C -0.2224 1.2887 1.9778 C.2 1 UNL1111111111 0.6085 21 C 4.0626 -1.9930 0.3285 C.3 1 UNL1111111111 -0.2709 22 C 0.9948 2.1400 -1.8674 C.3 1 UNL1111111111 -0.1109 23 C 1.4174 2.9256 1.1252 C.3 1 UNL1111111111 -0.0589 24 C 1.7841 3.3740 -1.3833 C.3 1 UNL1111111111 -0.2707 25 C 1.3392 3.9402 -0.0289 C.3 1 UNL1111111111 -0.2989 26 C 5.2249 -0.9924 0.3905 C.3 1 UNL1111111111 -0.2496 27 C 6.5149 -1.6793 0.8391 C.3 1 UNL1111111111 -0.4451 28 H -2.3350 -1.2286 -1.6521 H 1 UNL1111111111 0.1724 29 H -1.3709 -1.0734 1.8577 H 1 UNL1111111111 0.1661 30 H -0.9148 -2.6883 0.6914 H 1 UNL1111111111 0.1290 31 H -3.4941 -1.0362 3.0824 H 1 UNL1111111111 0.1529 32 H -4.2365 0.1259 1.9815 H 1 UNL1111111111 0.1520 33 H -2.6973 1.9002 0.1616 H 1 UNL1111111111 0.1307 34 H -3.9730 0.7163 -0.2442 H 1 UNL1111111111 0.1231 35 H 0.3232 -0.4837 -0.3544 H 1 UNL1111111111 0.1819 36 H -3.7329 -2.9763 -0.6324 H 1 UNL1111111111 0.1613 37 H -1.7232 0.8157 3.4374 H 1 UNL1111111111 0.1783 38 H -2.3387 1.8551 2.1486 H 1 UNL1111111111 0.1548 39 H -4.8558 -2.3786 1.5239 H 1 UNL1111111111 0.1418 40 H -3.2501 0.5324 -2.5241 H 1 UNL1111111111 0.1395 41 H -3.1741 2.2551 -2.1247 H 1 UNL1111111111 0.1497 42 H 1.8373 -3.1452 -0.7842 H 1 UNL1111111111 0.1379 43 H 1.4027 -2.6474 0.8664 H 1 UNL1111111111 0.1433 44 H -1.2118 1.5952 -3.4655 H 1 UNL1111111111 0.1347 45 H -0.7909 0.2973 -2.3064 H 1 UNL1111111111 0.1553 46 H 2.5415 -0.4520 0.5602 H 1 UNL1111111111 0.1542 47 H 2.9158 -0.8475 -1.1296 H 1 UNL1111111111 0.1439 48 H -0.5188 -4.0776 -1.0623 H 1 UNL1111111111 0.3196 49 H 4.3117 -2.8202 -0.3601 H 1 UNL1111111111 0.1293 50 H 3.9115 -2.4561 1.3210 H 1 UNL1111111111 0.1341 51 H 0.1089 -2.2213 -2.5500 H 1 UNL1111111111 0.3265 52 H -0.6452 2.2365 -0.6470 H 1 UNL1111111111 0.2544 53 H -0.6330 3.2971 1.5455 H 1 UNL1111111111 0.3054 54 H 1.3728 1.2206 -1.3659 H 1 UNL1111111111 0.1267 55 H 1.1778 1.9996 -2.9550 H 1 UNL1111111111 0.1360 56 H 1.9408 1.9923 0.8040 H 1 UNL1111111111 0.1714 57 H 2.0110 3.3384 1.9718 H 1 UNL1111111111 0.1325 58 H 2.8591 3.1153 -1.3501 H 1 UNL1111111111 0.1329 59 H 1.6803 4.1754 -2.1434 H 1 UNL1111111111 0.1418 60 H 1.9637 4.8216 0.2135 H 1 UNL1111111111 0.1353 61 H 0.3100 4.3422 -0.1340 H 1 UNL1111111111 0.1541 62 H 5.3713 -0.5221 -0.6001 H 1 UNL1111111111 0.1332 63 H 4.9742 -0.1683 1.0856 H 1 UNL1111111111 0.1364 64 H 6.8032 -2.4796 0.1489 H 1 UNL1111111111 0.1406 65 H 6.4051 -2.1260 1.8334 H 1 UNL1111111111 0.1416 66 H 7.3478 -0.9700 0.8870 H 1 UNL1111111111 0.1374 @BOND 1 1 9 1 2 1 48 1 3 2 12 1 4 2 51 1 5 3 20 2 6 4 7 1 7 4 8 1 8 4 11 1 9 5 18 1 10 5 22 1 11 5 52 1 12 6 20 am 13 6 23 1 14 6 53 1 15 7 9 1 16 7 13 1 17 7 28 1 18 8 10 1 19 8 14 1 20 8 29 1 21 9 12 1 22 9 30 1 23 10 15 1 24 10 31 1 25 10 32 1 26 11 16 1 27 11 33 1 28 11 34 1 29 12 17 1 30 12 35 1 31 13 15 2 32 13 36 1 33 14 20 1 34 14 37 1 35 14 38 1 36 15 39 1 37 16 18 1 38 16 40 1 39 16 41 1 40 17 19 1 41 17 42 1 42 17 43 1 43 18 44 1 44 18 45 1 45 19 21 1 46 19 46 1 47 19 47 1 48 21 26 1 49 21 49 1 50 21 50 1 51 22 24 1 52 22 54 1 53 22 55 1 54 23 25 1 55 23 56 1 56 23 57 1 57 24 25 1 58 24 58 1 59 24 59 1 60 25 60 1 61 25 61 1 62 26 27 1 63 26 62 1 64 26 63 1 65 27 64 1 66 27 65 1 67 27 66 1