0 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 6.57999 8.4069 9.62879 11.5556 12.536 7.12261 9.01112 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 13.1379 4.53725 9.58196 11.5815 9.6726 5.76302 8.84686 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 9.36191 11.1513 9.81307 8.43054 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.615 8.13395 6.20293 4.9903 6.6263 5.41726 6.75943 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 8.89611 7.12321 7.47371 6.21799 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 9.64805 9.35457 9.67587 5.03251 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 14.3385 12.1131 7.07356 7.66093 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.1112 5.4148 9.96396 15.2252 7.4369 5.70116 9.73086 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 19.5696 13.3558 8.70481 19.7485 13.8368 11.2069 5.5087 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.124 13.4367 6.19304 19.5696 13.3558 8.70481 21.8828 14.5999 10.6713 6.08682 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 11.0108 14.9342 9.96396 14.601 12.8207 5.70116 9.73086 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.16299 10.3774 8.70481 10.9082 13.3558 6.19304 16.3286 13.8931 6.20232 8.68662 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.16299 10.3774 8.70481 10.9082 13.3558 6.19304 14.601 12.8207 5.70116 7.4369 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 8.27015 12.6626 8.70481 20.562 14.9342 9.96396 17.9023 12.8207 5.70116 9.73086 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 8.27015 12.6626 8.70481 17.327 13.3558 6.19304 17.5616 13.8931 6.20232 8.68662 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 8.27015 12.6626 8.70481 17.327 13.3558 6.19304 17.9023 12.8207 5.70116 7.4369 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 9.8959 9.76432 6.23008 8.91882 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 18.8552 9.76432 6.23008 8.91882 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 15.8736 13.4105 4.48636 7.69765 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 7.34308 6.39384 6.63111 9.42082 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 15.8736 13.4105 11.835 7.69765 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 7.34308 6.39384 6.07067 9.42082 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 10.442 16.804 7.20875 8.84018 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 11.0698 7.22206 7.83136 8.08934 10.4223 3.55765 8.19331 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 7.0318 5.21051 7.90328 10.5123 9.3584 7.0603 8.08934 10.4223 3.55765 8.85711 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 18.591 10.7062 8.40312 14.0493 10.7579 3.98662 9.27976 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 8.43069 5.61668 6.82262 5.37122 8.26547 4.88025 9.05342 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 8.43069 7.33132 6.82262 9.79004 5.61668 8.22656 5.37122 9.05342 4.88025 8.26547 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.3933 5.49782 8.94367 12.487 7.93372 8.06642 7.21868 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 12.3933 5.49782 9.86662 12.487 7.93372 4.00092 7.21868 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 12.487 11.988 8.06642 7.21868 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 4.70162 9.55584 6.95573 9.33924 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 12.487 11.988 8.06642 7.93372 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 9.15345 6.14151 4.67662 7.81207 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 11.561 10.7696 13.5913 7.18002 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 9.15345 6.14151 5.81599 7.81207 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 11.561 10.7696 9.99555 7.18002 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 5.19262 5.23634 5.0317 6.91318 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 9.92572 12.3663 5.0317 5.23634 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 9.92572 12.3663 5.0317 6.91318 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 7.64276 5.34096 7.31233 4.48114 8.69015 10.3162 9.12776 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 6.54455 5.17954 6.22714 10.2875 5.34096 7.31233 9.41038 8.69015 10.3162 9.12776 numMergedOcc 0
42 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 16.2688 14.9102 7.19638 12.2491 13.1298 7.40852 7.15764 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 10.9903 10.582 8.13497 17.0741 18.7675 12.2293 9.46361 numMergedOcc 0
