0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 10.9688 6.06176 9.37101 6.36911 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.87281 8.88413 10.8648 6.17631 7.31767 12.9968 13.4756 8.43188 18.1526 7.685 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 13.4756 8.43188 10.3635 7.685 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 13.4756 10.3635 18.1526 7.685 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 13.4756 10.3635 8.43188 7.685 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 11.074 10.2241 7.05413 9.58673 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 11.074 7.05413 10.2241 9.58673 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.05508 9.00229 11.2395 5.34079 6.85766 11.6226 11.5407 7.29033 15.9747 6.71911 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.22002 7.52103 6.86346 6.16737 6.65721 6.72123 12.9951 5.83489 7.39396 8.76003 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 7.52103 9.22002 6.86346 6.16737 6.72123 6.65721 12.9951 7.39396 5.83489 8.76003 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 4.0486 9.36773 8.31336 5.82918 6.95868 6.97239 9.2603 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 7.74197 6.35462 9.94966 4.0486 9.36773 10.3436 5.82918 6.95868 4.37348 9.2603 numMergedOcc 0
12 mol 88 unq 2 iso 0 dist 7.86537 7.74197 5.57085 4.0486 8.31336 9.36773 5.82918 6.97239 6.95868 9.2603 numMergedOcc 0
13 mol 88 unq 3 iso 0 dist 7.86537 6.35462 10.9968 4.0486 8.31336 10.3436 5.82918 6.97239 4.37348 9.2603 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 4.86477 6.11741 9.55515 12.2966 4.61908 14.4084 9.66954 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.95871 9.80286 12.5968 4.86477 6.11741 9.55515 10.1292 10.8939 4.51489 7.64585 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.95871 9.80286 12.5968 12.0354 7.88312 15.8031 12.2966 4.61908 14.4084 8.66155 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 5.3154 6.18601 9.80193 12.0315 9.35964 8.20456 9.80862 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.18763 8.82535 4.72062 5.3154 6.18601 9.80193 10.2497 10.3457 10.1017 8.43904 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 12.0315 9.35964 9.64166 9.80862 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 10.2497 10.3457 6.35763 8.43904 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 12.0315 9.35964 12.6801 9.80862 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 10.2497 10.3457 10.0197 8.43904 numMergedOcc 0
23 mol 119 unq 6 iso 0 dist 8.44385 8.82535 10.0278 12.1192 9.87172 15.3394 16.7922 11.7228 14.6046 9.38288 numMergedOcc 0
24 mol 119 unq 7 iso 0 dist 8.44385 8.82535 10.0278 12.1192 9.87172 15.3394 10.2497 6.35763 10.1017 6.19042 numMergedOcc 0
25 mol 119 unq 8 iso 0 dist 8.44385 8.82535 10.0278 12.1192 9.87172 15.3394 13.4009 7.36192 16.7549 7.44174 numMergedOcc 0
26 mol 119 unq 9 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 16.7922 11.7228 15.7542 9.38288 numMergedOcc 0
27 mol 119 unq 10 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 10.2497 6.35763 10.3457 6.19042 numMergedOcc 0
28 mol 119 unq 11 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 13.4009 7.36192 16.7975 7.44174 numMergedOcc 0
29 mol 119 unq 12 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 16.7922 11.7228 16.1459 9.38288 numMergedOcc 0
30 mol 119 unq 13 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 10.2497 6.35763 10.0197 6.19042 numMergedOcc 0
31 mol 119 unq 14 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 13.4009 7.36192 10.6679 7.44174 numMergedOcc 0
32 mol 119 unq 15 iso 0 dist 5.63005 8.82535 9.93385 10.5268 8.73993 17.937 13.4009 10.6679 16.7549 9.63176 numMergedOcc 0
33 mol 119 unq 16 iso 0 dist 5.63005 6.18763 9.93257 10.5268 8.73993 16.4353 13.4009 10.6679 16.7975 9.63176 numMergedOcc 0
34 mol 119 unq 17 iso 0 dist 5.63005 8.44385 4.85907 10.5268 8.73993 10.3704 13.4009 10.6679 7.36192 9.63176 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 5.37072 7.11802 8.00618 11.5756 4.68409 12.2037 7.92688 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 11.5756 12.2037 4.68409 7.92688 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 9.98893 8.95269 9.99123 14.5909 9.36098 12.5195 7.06793 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 8.39002 8.46129 5.0744 9.98893 8.95269 9.99123 11.3096 5.29877 6.12232 6.67585 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 8.39002 8.46129 5.0744 5.72088 6.57273 6.60589 11.3096 5.29877 6.12232 6.65984 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 8.39002 9.2053 5.60236 9.98893 8.95269 14.0676 14.5909 9.36098 14.7761 7.06793 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 8.39002 9.2053 5.60236 9.98893 8.95269 14.0676 11.3096 5.29877 10.449 6.67585 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 8.39002 9.2053 5.60236 5.72088 6.57273 10.5128 11.3096 5.29877 10.449 6.65984 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 8.46129 8.39002 5.0744 5.72088 6.60589 6.57273 11.3096 6.12232 5.29877 6.65984 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 8.46129 9.2053 6.91102 5.72088 6.60589 10.5128 11.3096 6.12232 10.449 6.65984 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 9.89665 9.05929 14.7998 4.38595 6.84306 8.35971 10.3034 11.3552 6.40312 7.17676 numMergedOcc 0
46 mol 236 unq 1 iso 0 dist 9.89665 9.05929 14.7998 4.38595 6.84306 8.35971 8.71945 11.6837 6.2568 6.68463 numMergedOcc 0
47 mol 236 unq 2 iso 0 dist 9.89665 9.05929 14.7998 11.247 7.68742 11.2141 10.3034 11.3552 6.40312 5.34718 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 9.05929 9.89665 14.7998 4.38595 8.35971 6.84306 10.3034 6.40312 11.3552 7.17676 numMergedOcc 0
49 mol 236 unq 4 iso 0 dist 9.05929 9.89665 14.7998 4.38595 8.35971 6.84306 8.71945 6.2568 11.6837 6.68463 numMergedOcc 0
50 mol 236 unq 5 iso 0 dist 6.11137 7.89744 6.59448 15.1664 9.99038 13.864 9.91572 6.04825 7.47082 7.17676 numMergedOcc 0
51 mol 236 unq 6 iso 0 dist 6.11137 7.89744 6.59448 15.1664 9.99038 13.864 14.8319 8.8265 11.0658 6.68463 numMergedOcc 0
52 mol 236 unq 7 iso 0 dist 6.11137 7.89744 6.59448 9.01197 6.27581 10.9008 9.91572 6.04825 7.47082 5.34718 numMergedOcc 0
53 mol 261 unq 0 iso 0 dist 8.65236 9.73983 7.00201 4.49913 9.14619 8.45658 10.4678 7.49174 5.22253 7.47164 numMergedOcc 0
54 mol 261 unq 1 iso 0 dist 9.73983 8.65236 7.00201 4.49913 8.45658 9.14619 10.4678 5.22253 7.49174 7.47164 numMergedOcc 0
