@MOLECULE (13r,14r)-4-allyl-12,16-dioxa-4-azahexacyclo[9.7.1.0~1,13~.0~5,18~.0~7,19~.0~15,17~]nonadeca-7(19),8,10-triene-10,14-diol 45 50 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.5402 -0.8397 1.7206 O.3 1 UNL11111111 -0.3091 2 O 2.3205 -0.1971 -1.3463 O.3 1 UNL11111111 -0.2912 3 O 3.4019 -2.3879 -0.4520 O.3 1 UNL11111111 -0.5301 4 O 3.7428 2.2338 -0.8686 O.3 1 UNL11111111 -0.4370 5 N -2.7548 -0.3907 -0.0198 N.3 1 UNL11111111 -0.4536 6 C 0.0471 -0.6706 -0.6296 C.3 1 UNL11111111 0.0220 7 C -0.6180 -1.3505 0.5759 C.3 1 UNL11111111 -0.1569 8 C 0.3832 -1.6774 1.6569 C.3 1 UNL11111111 -0.0219 9 C 1.7278 -2.1662 1.2311 C.3 1 UNL11111111 -0.0608 10 C 1.3693 -1.2903 -1.1766 C.3 1 UNL11111111 0.0163 11 C -1.7490 -0.3920 1.0689 C.3 1 UNL11111111 0.0646 12 C 2.0124 -2.3438 -0.2506 C.3 1 UNL11111111 0.0964 13 C -0.9931 -0.5409 -1.7526 C.3 1 UNL11111111 -0.2910 14 C 0.5437 0.6653 -0.1642 C.ar 1 UNL11111111 -0.0925 15 C -1.2515 1.0221 1.4980 C.3 1 UNL11111111 -0.3254 16 C -2.2350 0.2270 -1.2634 C.3 1 UNL11111111 -0.1008 17 C -0.0446 1.5047 0.7630 C.ar 1 UNL11111111 0.0087 18 C 1.8324 0.8790 -0.6521 C.ar 1 UNL11111111 0.1281 19 C -4.0357 0.2362 0.3891 C.3 1 UNL11111111 -0.1262 20 C 0.6166 2.7040 1.0531 C.ar 1 UNL11111111 -0.1689 21 C 2.4985 2.0633 -0.3505 C.ar 1 UNL11111111 0.1808 22 C 1.8589 2.9899 0.4832 C.ar 1 UNL11111111 -0.2312 23 C -5.1312 -0.2635 -0.5116 C.2 1 UNL11111111 -0.1089 24 C -6.2420 0.4335 -0.7433 C.2 1 UNL11111111 -0.3540 25 H -1.1072 -2.3059 0.2505 H 1 UNL11111111 0.1712 26 H -0.0334 -1.9428 2.6304 H 1 UNL11111111 0.1545 27 H 2.3459 -2.7964 1.8783 H 1 UNL11111111 0.1700 28 H 1.2737 -1.6825 -2.2093 H 1 UNL11111111 0.1566 29 H -2.2351 -0.8667 1.9615 H 1 UNL11111111 0.1328 30 H 1.6841 -3.3697 -0.5608 H 1 UNL11111111 0.1533 31 H -1.2917 -1.5471 -2.1032 H 1 UNL11111111 0.1524 32 H -0.5582 -0.0127 -2.6230 H 1 UNL11111111 0.1539 33 H -1.0022 0.9876 2.5825 H 1 UNL11111111 0.1626 34 H -2.0807 1.7501 1.4075 H 1 UNL11111111 0.1541 35 H -1.9838 1.3027 -1.1302 H 1 UNL11111111 0.1294 36 H -3.0350 0.1720 -2.0346 H 1 UNL11111111 0.1414 37 H -3.9914 1.3483 0.3909 H 1 UNL11111111 0.1283 38 H -4.2727 -0.0725 1.4357 H 1 UNL11111111 0.1496 39 H 3.7718 -1.4705 -0.4534 H 1 UNL11111111 0.3417 40 H 0.1723 3.4098 1.7506 H 1 UNL11111111 0.1570 41 H 2.3534 3.9289 0.7193 H 1 UNL11111111 0.1620 42 H -4.9507 -1.2492 -0.9431 H 1 UNL11111111 0.1597 43 H 4.1515 3.0758 -0.5477 H 1 UNL11111111 0.3190 44 H -7.0458 0.0769 -1.3679 H 1 UNL11111111 0.1479 45 H -6.4415 1.4098 -0.3321 H 1 UNL11111111 0.1452 @BOND 1 32 13 1 2 28 10 1 3 31 13 1 4 36 16 1 5 13 16 1 6 13 6 1 7 44 24 1 8 2 10 1 9 2 18 1 10 16 35 1 11 16 5 1 12 10 6 1 13 10 12 1 14 42 23 1 15 4 43 1 16 4 21 1 17 24 23 2 18 24 45 1 19 18 21 ar 20 18 14 ar 21 6 14 1 22 6 7 1 23 30 12 1 24 23 19 1 25 39 3 1 26 3 12 1 27 21 22 ar 28 12 9 1 29 14 17 ar 30 5 19 1 31 5 11 1 32 25 7 1 33 19 37 1 34 19 38 1 35 22 41 1 36 22 20 ar 37 7 11 1 38 7 8 1 39 17 20 ar 40 17 15 1 41 20 40 1 42 11 15 1 43 11 29 1 44 9 8 1 45 9 1 1 46 9 27 1 47 34 15 1 48 15 33 1 49 8 1 1 50 8 26 1