@MOLECULE chlornaltrexamine 63 68 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.9420 2.2354 1.4489 Cl 1 UNL1111111111 -0.1900 2 CL 3.9133 -4.4460 -0.9976 Cl 1 UNL1111111111 -0.1821 3 O 1.1543 0.9866 -1.3730 O.3 1 UNL1111111111 -0.2810 4 O -1.7482 -2.0617 0.5391 O.3 1 UNL1111111111 -0.5191 5 O 1.5718 3.8221 -1.5740 O.3 1 UNL1111111111 -0.4364 6 N -3.6993 -0.5248 -0.4931 N.3 1 UNL1111111111 -0.4301 7 N 2.7878 -0.8544 0.2984 N.3 1 UNL1111111111 -0.4672 8 C -0.8484 -0.0797 -0.5819 C.3 1 UNL1111111111 -0.0613 9 C -1.5382 -0.6720 0.6589 C.3 1 UNL1111111111 0.2806 10 C -2.9837 -0.0648 0.7125 C.3 1 UNL1111111111 0.0389 11 C 0.6858 -0.2570 -0.7420 C.3 1 UNL1111111111 0.0634 12 C -1.6112 -0.5644 -1.8220 C.3 1 UNL1111111111 -0.2736 13 C -0.9138 1.4156 -0.4699 C.ar 1 UNL1111111111 -0.1145 14 C -0.7049 -0.4341 1.9271 C.3 1 UNL1111111111 -0.3335 15 C 1.4480 -0.3161 0.6071 C.3 1 UNL1111111111 0.0112 16 C -2.9610 1.4840 0.9095 C.3 1 UNL1111111111 -0.3354 17 C 0.6878 -1.0404 1.7344 C.3 1 UNL1111111111 -0.3105 18 C -3.0743 -0.0804 -1.7611 C.3 1 UNL1111111111 -0.1001 19 C -1.8795 2.1814 0.1525 C.ar 1 UNL1111111111 0.0073 20 C 0.2581 1.9554 -1.0059 C.ar 1 UNL1111111111 0.1136 21 C -5.1462 -0.2021 -0.4781 C.3 1 UNL1111111111 -0.1010 22 C -5.8352 -0.8441 0.7156 C.3 1 UNL1111111111 -0.1732 23 C -6.8159 -1.9777 0.4763 C.3 1 UNL1111111111 -0.3257 24 C -5.4798 -2.2652 1.1068 C.3 1 UNL1111111111 -0.2928 25 C -1.7160 3.5715 0.1080 C.ar 1 UNL1111111111 -0.1703 26 C 0.4213 3.3373 -1.0399 C.ar 1 UNL1111111111 0.1818 27 C -0.5933 4.1389 -0.4979 C.ar 1 UNL1111111111 -0.2343 28 C 3.8523 -0.1960 1.0852 C.3 1 UNL1111111111 -0.1186 29 C 2.8922 -2.3240 0.2778 C.3 1 UNL1111111111 -0.1140 30 C 4.2283 1.0699 0.3067 C.3 1 UNL1111111111 -0.1684 31 C 3.8650 -2.6715 -0.8542 C.3 1 UNL1111111111 -0.1683 32 H -3.5054 -0.5271 1.5928 H 1 UNL1111111111 0.1582 33 H 0.9885 -1.0381 -1.4582 H 1 UNL1111111111 0.1610 34 H -1.1335 -0.1905 -2.7462 H 1 UNL1111111111 0.1502 35 H -1.5935 -1.6720 -1.8666 H 1 UNL1111111111 0.1635 36 H -0.6375 0.6457 2.1531 H 1 UNL1111111111 0.1587 37 H -1.2102 -0.9030 2.7934 H 1 UNL1111111111 0.1611 38 H 1.5771 0.7580 0.9405 H 1 UNL1111111111 0.1674 39 H -3.9542 1.8947 0.6380 H 1 UNL1111111111 0.1593 40 H -2.8429 1.7024 1.9918 H 1 UNL1111111111 0.1588 41 H 0.6040 -2.1253 1.5403 H 1 UNL1111111111 0.1443 42 H 1.2668 -0.9578 2.6750 H 1 UNL1111111111 0.1488 43 H -3.6443 -0.5392 -2.5992 H 1 UNL1111111111 0.1363 44 H -3.1162 1.0221 -1.8976 H 1 UNL1111111111 0.1230 45 H -5.3468 0.8922 -0.4897 H 1 UNL1111111111 0.1125 46 H -5.5810 -0.6080 -1.4222 H 1 UNL1111111111 0.1446 47 H -6.0587 -0.1315 1.5135 H 1 UNL1111111111 0.1455 48 H -0.9136 -2.5125 0.3026 H 1 UNL1111111111 0.3019 49 H -7.7203 -2.0356 1.0732 H 1 UNL1111111111 0.1502 50 H -7.0134 -2.3162 -0.5364 H 1 UNL1111111111 0.1555 51 H -5.4147 -2.5394 2.1533 H 1 UNL1111111111 0.1474 52 H -4.7042 -2.7798 0.5334 H 1 UNL1111111111 0.1854 53 H -2.4633 4.2175 0.5618 H 1 UNL1111111111 0.1555 54 H -0.4908 5.2208 -0.5261 H 1 UNL1111111111 0.1582 55 H 4.7365 -0.8615 1.1880 H 1 UNL1111111111 0.1450 56 H 3.5310 0.0431 2.1239 H 1 UNL1111111111 0.1404 57 H 1.8962 -2.7769 0.0646 H 1 UNL1111111111 0.1512 58 H 3.2313 -2.7560 1.2444 H 1 UNL1111111111 0.1342 59 H 3.3540 1.5657 -0.1599 H 1 UNL1111111111 0.1867 60 H 4.9766 0.8836 -0.4771 H 1 UNL1111111111 0.1571 61 H 4.8936 -2.3349 -0.6597 H 1 UNL1111111111 0.1536 62 H 3.5330 -2.2717 -1.8273 H 1 UNL1111111111 0.1700 63 H 1.5935 4.8107 -1.5431 H 1 UNL1111111111 0.3190 @BOND 1 1 30 1 2 2 31 1 3 3 11 1 4 3 20 1 5 4 9 1 6 4 48 1 7 5 26 1 8 5 63 1 9 6 10 1 10 6 18 1 11 6 21 1 12 7 15 1 13 7 28 1 14 7 29 1 15 8 9 1 16 8 11 1 17 8 12 1 18 8 13 1 19 9 10 1 20 9 14 1 21 10 16 1 22 10 32 1 23 11 15 1 24 11 33 1 25 12 18 1 26 12 34 1 27 12 35 1 28 13 19 ar 29 13 20 ar 30 14 17 1 31 14 36 1 32 14 37 1 33 15 17 1 34 15 38 1 35 16 19 1 36 16 39 1 37 16 40 1 38 17 41 1 39 17 42 1 40 18 43 1 41 18 44 1 42 19 25 ar 43 20 26 ar 44 21 22 1 45 21 45 1 46 21 46 1 47 22 23 1 48 22 24 1 49 22 47 1 50 23 24 1 51 23 49 1 52 23 50 1 53 24 51 1 54 24 52 1 55 25 27 ar 56 25 53 1 57 26 27 ar 58 27 54 1 59 28 30 1 60 28 55 1 61 28 56 1 62 29 31 1 63 29 57 1 64 29 58 1 65 30 59 1 66 30 60 1 67 31 61 1 68 31 62 1