0 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 11.071 6.20227 10.6533 6.26276 7.28672 9.62394 11.5992 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 13.5984 9.75636 8.70827 13.7395 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 18.4559 10.0715 6.73939 10.0903 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.70141 5.80023 9.24958 9.42167 4.87192 11.7026 13.5984 9.75636 9.12854 13.7395 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 4.11406 5.44124 5.52519 7.05148 6.61233 8.6653 9.86311 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 5.97432 5.59268 6.90155 4.11406 5.44124 7.19007 11.6272 11.0508 6.16347 12.0231 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 5.97432 5.59268 6.90155 4.11406 5.44124 7.19007 7.05148 6.61233 7.92503 9.86311 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.13391 6.0968 6.98934 4.05728 8.3642 8.87718 12.3696 8.28905 8.99399 13.5999 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.13391 6.0968 6.98934 3.26359 4.31261 4.72999 12.3696 8.28905 8.99399 10.7404 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 5.06687 9.27313 9.74542 3.78181 6.49708 6.55924 11.0479 7.23332 9.91993 9.87021 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 3.78181 6.49708 6.55924 9.80819 7.89336 6.22055 7.34023 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 3.72958 6.45018 6.62435 11.1963 7.35366 9.96691 9.96938 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 5.09809 9.25213 9.6606 3.72958 6.45018 6.62435 9.81665 7.86976 6.14675 7.35268 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 5.09809 9.25213 9.6606 3.72958 6.45018 6.62435 13.8927 11.8012 9.24244 11.1425 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 4.44253 8.02691 7.44124 18.0894 10.3427 9.17787 15.7456 numMergedOcc 0
15 mol 159 unq 1 iso 0 dist 9.90625 10.6428 7.25742 4.44253 8.02691 7.44124 12.8147 7.97232 8.4858 12.2962 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 5.80513 4.12904 8.38738 7.55428 7.27002 10.1139 9.62943 8.55624 9.07943 15.0453 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 13.3459 5.92931 8.65535 10.4112 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 10.0521 12.361 8.29382 16.9566 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 9.76361 7.50057 6.72379 12.8521 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 7.31388 3.84723 5.37446 9.54557 9.40123 7.09658 10.7279 7.1777 7.10826 9.69053 numMergedOcc 0
21 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 10.8851 7.35934 11.6095 22.5716 15.5587 6.68687 16.4042 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 4.41915 8.65191 9.34197 16.2957 8.10604 7.21311 15.2423 numMergedOcc 0
