@MOLECULE (2s,3s,4r,6r)-8-chloro-3-hydroxy-4,12-dimethyl-2-propyl-1,3,4,6-tetrahydro-2h-2,6-methanotetrapheno[9,8-c][1,5]oxazocine-9,16-dione 60 65 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.2312 -3.8264 0.3660 Cl 1 UNL11 -0.0501 2 O 4.5442 -2.0745 -0.9142 O.3 1 UNL11 -0.3637 3 O 4.1874 1.1147 -1.9669 O.3 1 UNL11 -0.5394 4 O 0.1678 2.3009 0.3202 O.2 1 UNL11 -0.5055 5 O -2.7281 -1.6912 1.5629 O.2 1 UNL11 -0.3820 6 N 2.3756 0.8226 0.0622 N.pl3 1 UNL11 -0.5169 7 C 3.8376 0.6713 0.3572 C.3 1 UNL11 0.2530 8 C 3.9329 -0.7384 0.9103 C.3 1 UNL11 -0.3773 9 C 4.8741 0.5538 -0.8797 C.3 1 UNL11 0.0569 10 C 3.4010 -1.4263 -0.4058 C.3 1 UNL11 0.0413 11 C 4.2702 1.7955 1.3019 C.3 1 UNL11 -0.3242 12 C 5.3824 -0.9207 -1.2950 C.3 1 UNL11 0.0747 13 C 1.9734 -1.6239 -0.0707 C.ar 1 UNL11 -0.0960 14 C 1.4863 -0.2352 0.1171 C.ar 1 UNL11 0.3087 15 C 4.1592 3.1838 0.6577 C.3 1 UNL11 -0.2482 16 C 6.7546 -1.2117 -0.7165 C.3 1 UNL11 -0.4824 17 C 0.1044 -0.0526 0.2703 C.ar 1 UNL11 -0.3143 18 C 1.1440 -2.6945 -0.0110 C.ar 1 UNL11 -0.1067 19 C -0.7304 -1.1912 0.4142 C.ar 1 UNL11 -0.0546 20 C -0.2248 -2.4562 0.2644 C.ar 1 UNL11 -0.0232 21 C 4.9684 4.2128 1.4443 C.3 1 UNL11 -0.4385 22 C -0.4956 1.2830 0.2495 C.2 1 UNL11 0.5102 23 C -2.1519 -0.9584 0.7984 C.2 1 UNL11 0.4493 24 C -1.9666 1.3712 0.0570 C.ar 1 UNL11 -0.1109 25 C -2.7780 0.2752 0.2573 C.ar 1 UNL11 -0.0862 26 C -4.1713 0.3511 -0.0031 C.ar 1 UNL11 -0.0116 27 C -2.5112 2.6054 -0.3660 C.ar 1 UNL11 -0.1009 28 C -4.7106 1.5867 -0.4379 C.ar 1 UNL11 0.0319 29 C -3.8575 2.7105 -0.6050 C.ar 1 UNL11 -0.1600 30 C -5.0504 -0.7609 0.1431 C.ar 1 UNL11 -0.1133 31 C -6.1042 1.6947 -0.6982 C.ar 1 UNL11 -0.2248 32 C -6.3880 -0.6348 -0.1154 C.ar 1 UNL11 -0.1882 33 C -6.9302 0.6111 -0.5375 C.ar 1 UNL11 0.0702 34 C -8.3944 0.7024 -0.7971 C.3 1 UNL11 -0.4587 35 H 3.3239 -0.9356 1.8052 H 1 UNL11 0.1700 36 H 4.9375 -1.0822 1.1883 H 1 UNL11 0.1720 37 H 5.7680 1.1647 -0.6482 H 1 UNL11 0.1263 38 H 3.1864 -0.7677 -1.3547 H 1 UNL11 0.1944 39 H 3.6567 1.7647 2.2267 H 1 UNL11 0.1637 40 H 5.3087 1.6108 1.6389 H 1 UNL11 0.1519 41 H 5.3767 -0.9777 -2.4052 H 1 UNL11 0.1354 42 H 2.0010 1.7702 0.0466 H 1 UNL11 0.3535 43 H 4.4989 3.1533 -0.3964 H 1 UNL11 0.1476 44 H 3.0973 3.5021 0.6124 H 1 UNL11 0.1489 45 H 6.8161 -0.9948 0.3562 H 1 UNL11 0.1556 46 H 7.5428 -0.6449 -1.2230 H 1 UNL11 0.1504 47 H 6.9946 -2.2819 -0.8281 H 1 UNL11 0.1741 48 H 1.5133 -3.7093 -0.1728 H 1 UNL11 0.1823 49 H 4.7765 1.2504 -2.7361 H 1 UNL11 0.3153 50 H 4.6374 4.2709 2.4878 H 1 UNL11 0.1462 51 H 4.8582 5.2148 1.0126 H 1 UNL11 0.1447 52 H 6.0369 3.9737 1.4472 H 1 UNL11 0.1385 53 H -1.8407 3.4598 -0.4908 H 1 UNL11 0.1765 54 H -4.2932 3.6553 -0.9269 H 1 UNL11 0.1564 55 H -4.6442 -1.7222 0.4706 H 1 UNL11 0.1814 56 H -6.4988 2.6535 -1.0260 H 1 UNL11 0.1567 57 H -7.0581 -1.4853 -0.0010 H 1 UNL11 0.1584 58 H -8.7103 1.7043 -1.1166 H 1 UNL11 0.1555 59 H -8.7044 0.0005 -1.5859 H 1 UNL11 0.1624 60 H -8.9755 0.4541 0.1043 H 1 UNL11 0.1635 @BOND 1 49 3 1 2 41 12 1 3 3 9 1 4 59 34 1 5 38 10 1 6 12 2 1 7 12 9 1 8 12 16 1 9 46 16 1 10 58 34 1 11 56 31 1 12 54 29 1 13 2 10 1 14 9 37 1 15 9 7 1 16 47 16 1 17 34 33 1 18 34 60 1 19 16 45 1 20 31 33 ar 21 31 28 ar 22 29 28 ar 23 29 27 ar 24 33 32 ar 25 53 27 1 26 28 26 ar 27 10 13 1 28 10 8 1 29 43 15 1 30 27 24 ar 31 48 18 1 32 32 57 1 33 32 30 ar 34 13 18 ar 35 13 14 ar 36 18 20 ar 37 26 30 ar 38 26 25 ar 39 42 6 1 40 24 22 1 41 24 25 ar 42 6 14 1 43 6 7 1 44 14 17 ar 45 30 55 1 46 22 17 1 47 22 4 2 48 25 23 1 49 20 1 1 50 20 19 ar 51 17 19 ar 52 7 8 1 53 7 11 1 54 19 23 1 55 44 15 1 56 15 11 1 57 15 21 1 58 23 5 2 59 8 36 1 60 8 35 1 61 51 21 1 62 11 40 1 63 11 39 1 64 21 52 1 65 21 50 1