0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 9.47227 6.31827 8.25051 8.96553 12.1933 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.46102 9.91301 8.4069 8.25051 8.96553 9.62879 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 9.91301 7.46102 8.4069 8.25051 9.62879 8.96553 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 9.91301 9.47227 5.27819 8.25051 9.62879 12.1933 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.88413 9.87281 10.8648 5.59268 7.17969 12.4135 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 9.87281 8.88413 10.8648 6.17631 7.31767 12.9968 numMergedOcc 0
11 mol 25 unq 6 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 numMergedOcc 0
12 mol 25 unq 7 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 numMergedOcc 0
13 mol 25 unq 8 iso 0 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 8.05508 9.00229 11.2395 5.34079 6.85766 11.6226 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 9.00229 8.05508 11.2395 10.1484 8.95999 14.2832 numMergedOcc 0
18 mol 61 unq 0 iso 0 dist 9.22002 7.52103 6.86346 6.16737 6.65721 6.72123 numMergedOcc 0
19 mol 61 unq 1 iso 0 dist 7.52103 9.22002 6.86346 6.16737 6.72123 6.65721 numMergedOcc 0
20 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 4.0486 9.36773 8.31336 numMergedOcc 0
21 mol 88 unq 1 iso 0 dist 7.74197 6.35462 9.94966 4.0486 9.36773 10.3436 numMergedOcc 0
22 mol 88 unq 2 iso 0 dist 7.86537 7.74197 5.57085 4.0486 8.31336 9.36773 numMergedOcc 0
23 mol 88 unq 3 iso 0 dist 7.86537 6.35462 10.9968 4.0486 8.31336 10.3436 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 5.33325 7.27724 12.5309 numMergedOcc 0
25 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 7.15985 7.53905 10.838 6.68714 9.60462 11.438 numMergedOcc 0
27 mol 112 unq 1 iso 0 dist 7.15985 7.53905 10.838 6.71889 7.45389 13.9719 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 4.86477 6.11741 9.55515 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 7.95871 9.80286 12.5968 12.0354 7.88312 15.8031 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 5.3154 6.18601 9.80193 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 numMergedOcc 0
32 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 numMergedOcc 0
33 mol 119 unq 3 iso 0 dist 8.44385 8.82535 10.0278 12.1192 9.87172 15.3394 numMergedOcc 0
34 mol 119 unq 4 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 numMergedOcc 0
35 mol 119 unq 5 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 numMergedOcc 0
36 mol 119 unq 6 iso 0 dist 5.63005 8.82535 9.93385 10.5268 8.73993 17.937 numMergedOcc 0
37 mol 119 unq 7 iso 0 dist 5.63005 6.18763 9.93257 10.5268 8.73993 16.4353 numMergedOcc 0
38 mol 119 unq 8 iso 0 dist 5.63005 8.44385 4.85907 10.5268 8.73993 10.3704 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 9.28278 8.78082 10.5871 14.5776 8.54584 17.1395 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 5.37072 7.11802 8.00618 numMergedOcc 0
41 mol 133 unq 1 iso 0 dist 5.82404 9.50322 8.18495 10.2385 6.29155 13.268 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 5.82404 9.50322 8.18495 4.64588 6.80239 12.6651 numMergedOcc 0
43 mol 133 unq 3 iso 0 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 numMergedOcc 0
48 mol 134 unq 4 iso 0 dist 9.55556 9.60369 5.62899 11.9294 8.94367 11.7385 numMergedOcc 0
49 mol 134 unq 5 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 numMergedOcc 0
50 mol 196 unq 0 iso 0 dist 6.87731 6.25429 7.5617 4.59462 9.62191 10.1741 numMergedOcc 0
51 mol 205 unq 0 iso 0 dist 5.4913 8.10287 9.33648 6.8901 7.45763 13.4269 numMergedOcc 0
52 mol 206 unq 0 iso 0 dist 9.36079 8.46319 7.73294 13.6173 7.7366 13.9342 numMergedOcc 0
53 mol 206 unq 1 iso 0 dist 7.42904 9.11298 7.73294 9.96254 7.7366 13.9342 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 9.98893 8.95269 9.99123 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 8.39002 8.46129 5.0744 5.72088 6.57273 6.60589 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 8.39002 8.46129 5.0744 6.51315 5.78342 9.16166 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 8.39002 9.2053 5.60236 9.98893 8.95269 14.0676 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 8.39002 9.2053 5.60236 5.72088 6.57273 10.5128 numMergedOcc 0
59 mol 224 unq 5 iso 0 dist 8.39002 9.2053 5.60236 6.51315 5.78342 5.81334 numMergedOcc 0
60 mol 224 unq 6 iso 0 dist 8.46129 8.39002 5.0744 6.31508 6.65832 10.103 numMergedOcc 0
61 mol 224 unq 7 iso 0 dist 8.46129 8.39002 5.0744 5.72088 6.60589 6.57273 numMergedOcc 0
62 mol 224 unq 8 iso 0 dist 8.46129 8.39002 5.0744 6.51315 9.16166 5.78342 numMergedOcc 0
63 mol 224 unq 9 iso 0 dist 8.46129 9.2053 6.91102 6.31508 6.65832 10.9745 numMergedOcc 0
64 mol 224 unq 10 iso 0 dist 8.46129 9.2053 6.91102 5.72088 6.60589 10.5128 numMergedOcc 0
65 mol 224 unq 11 iso 0 dist 8.46129 9.2053 6.91102 6.51315 9.16166 5.81334 numMergedOcc 0
66 mol 224 unq 12 iso 0 dist 9.2053 8.39002 5.60236 6.51315 5.81334 5.78342 numMergedOcc 0
67 mol 224 unq 13 iso 0 dist 9.2053 8.46129 6.91102 6.51315 5.81334 9.16166 numMergedOcc 0
68 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 8.65216 8.22528 11.3979 numMergedOcc 0
69 mol 229 unq 1 iso 0 dist 8.6537 8.75374 5.1556 10.7439 7.03423 11.9282 numMergedOcc 0
70 mol 229 unq 2 iso 0 dist 8.6537 7.10634 10.6558 8.65216 8.22528 13.7165 numMergedOcc 0
71 mol 229 unq 3 iso 0 dist 8.6537 7.10634 10.6558 10.7439 7.03423 15.8786 numMergedOcc 0
72 mol 229 unq 4 iso 0 dist 8.6537 5.57702 7.0298 8.65216 8.22528 11.7165 numMergedOcc 0
73 mol 229 unq 5 iso 0 dist 8.6537 5.57702 7.0298 10.7439 7.03423 11.4362 numMergedOcc 0
74 mol 229 unq 6 iso 0 dist 5.57702 8.6537 7.0298 6.21233 9.87838 11.6115 numMergedOcc 0
75 mol 229 unq 7 iso 0 dist 5.57702 8.75374 6.54885 6.21233 9.87838 13.9028 numMergedOcc 0
76 mol 229 unq 8 iso 0 dist 5.57702 7.10634 7.08329 6.21233 9.87838 13.2937 numMergedOcc 0
77 mol 232 unq 0 iso 0 dist 9.29752 7.70279 6.56633 9.60401 8.27212 10.5803 numMergedOcc 0
78 mol 236 unq 0 iso 0 dist 9.89665 9.05929 14.7998 4.38595 6.84306 8.35971 numMergedOcc 0
79 mol 236 unq 1 iso 0 dist 9.89665 9.05929 14.7998 11.247 7.68742 11.2141 numMergedOcc 0
80 mol 236 unq 2 iso 0 dist 9.05929 9.89665 14.7998 4.32403 8.04248 13.5269 numMergedOcc 0
81 mol 236 unq 3 iso 0 dist 9.05929 9.89665 14.7998 4.38595 8.35971 6.84306 numMergedOcc 0
82 mol 236 unq 4 iso 0 dist 6.11137 7.89744 6.59448 15.1664 9.99038 13.864 numMergedOcc 0
83 mol 236 unq 5 iso 0 dist 6.11137 7.89744 6.59448 9.01197 6.27581 10.9008 numMergedOcc 0
84 mol 261 unq 0 iso 0 dist 8.65236 9.73983 7.00201 4.49913 9.14619 8.45658 numMergedOcc 0
85 mol 261 unq 1 iso 0 dist 9.73983 8.65236 7.00201 4.49913 8.45658 9.14619 numMergedOcc 0
86 mol 292 unq 0 iso 0 dist 9.30668 9.64124 5.4956 8.04474 8.2734 11.448 numMergedOcc 0
