0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 9.91301 8.4069 9.62879 13.8883 12.536 7.12261 9.01112 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.8641 6.92781 5.05803 5.33179 11.0298 5.01101 6.42835 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.76968 4.2139 6.31718 8.8641 6.92781 5.05803 5.36195 8.43054 4.65873 6.57331 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 7.63928 4.51512 6.03987 4.88495 11.0249 4.77954 7.99919 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 13.3732 5.06502 5.73819 16.7913 10.0168 5.07458 6.66407 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.88613 4.81926 6.35756 4.99692 9.22598 9.87158 8.96727 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 4.88613 4.81926 6.35756 3.70586 9.55996 5.86526 8.01308 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 6.36193 4.81926 6.62496 4.99692 8.96727 9.87158 9.22598 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.0671 5.4148 9.96396 5.65986 7.4369 5.70116 9.73086 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 13.2599 13.3558 8.70481 15.8354 13.8368 11.2069 5.5087 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.18305 4.69583 6.19304 13.2599 13.3558 8.70481 15.0337 14.5999 10.6713 6.08682 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.86537 4.0486 8.31336 7.74197 5.57085 9.36773 11.151 12.785 12.1193 7.80898 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 11.8758 13.22 6.01673 6.24825 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 12.5189 7.69052 9.33865 12.6105 9.42082 6.63111 6.39384 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 12.5189 7.69052 6.11741 12.6105 9.42082 6.07067 6.39384 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 12.8905 10.0255 6.95773 6.24825 numMergedOcc 0
16 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 13.6414 11.8378 5.03039 6.04595 numMergedOcc 0
17 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 12.8905 10.0255 6.01673 6.24825 numMergedOcc 0
18 mol 115 unq 6 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 11.7277 10.0255 6.95773 6.24825 numMergedOcc 0
19 mol 115 unq 7 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 14.8066 11.8378 5.03039 6.04595 numMergedOcc 0
20 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 11.7277 10.0255 6.01673 6.24825 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 15.7871 10.7062 8.40312 15.0806 10.7579 3.98662 9.27976 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.3894 13.0836 9.52634 14.8299 7.6656 7.24514 17.6668 13.5471 5.03174 8.26547 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 5.82404 8.18495 8.00618 11.5628 12.5855 15.0115 8.77023 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 11.6349 13.9752 6.95573 9.33924 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 3.76211 7.21868 8.06642 7.93372 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 11.6349 13.9752 10.2026 9.33924 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 3.76211 7.21868 4.00092 7.93372 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 9.92932 5.49782 8.94367 3.76211 7.93372 8.06642 7.21868 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 9.92932 5.49782 9.86662 3.76211 7.93372 4.00092 7.21868 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 15.7509 13.9752 6.95573 9.33924 numMergedOcc 0
31 mol 134 unq 7 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 4.63732 7.21868 8.06642 7.93372 numMergedOcc 0
32 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 15.7509 13.9752 10.2026 9.33924 numMergedOcc 0
33 mol 134 unq 9 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 4.63732 7.21868 4.00092 7.93372 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 10.6879 5.71071 7.46303 13.6883 12.9034 9.16779 8.97626 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 8.90987 5.26654 8.03456 11.2664 7.28249 9.81562 5.14597 10.1317 4.27181 9.3206 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 8.90987 3.82437 6.84306 11.2664 7.28249 7.68742 5.14597 10.1317 4.89609 9.3206 numMergedOcc 0
37 mol 236 unq 2 iso 0 dist 8.90987 13.8124 9.99038 11.2664 7.28249 6.27581 5.14597 10.1317 10.5774 9.3206 numMergedOcc 0
38 mol 236 unq 3 iso 0 dist 8.90987 16.8883 8.35971 15.2598 7.43758 8.04248 20.0502 11.5798 4.66414 8.23087 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.66555 12.2428 6.22714 11.6545 5.34096 7.31233 3.68226 8.69015 10.3162 9.12776 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 8.67205 8.66185 6.22714 11.1363 5.34096 7.31233 5.17124 8.69015 10.3162 9.12776 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 9.73107 4.69778 7.88519 16.3293 12.8229 7.20604 9.63573 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 5.90645 10.4985 8.13497 9.73107 4.69778 7.88519 9.54522 9.07743 8.8603 7.66153 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 10.0741 10.3406 10.067 5.85442 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 9.0675 9.46361 11.6988 6.95511 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 5.13138 6.95511 11.6988 9.46361 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 8.57501 6.9795 6.92774 11.7392 7.03728 9.01049 13.457 14.6946 12.2939 9.59325 numMergedOcc 0
