0 mol 61 unq 0 iso 0 dist 5.50504 12.0885 9.70415 7.62418 6.65721 5.46309 5.31827 8.76003 10.4362 5.83489 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 5.50504 12.0885 9.70415 6.53977 6.72123 11.9897 5.31827 8.76003 10.4362 7.39396 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.49626 6.11663 7.63663 15.643 9.65964 14.2824 16.9284 7.92394 14.4842 6.65811 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.49626 6.11663 7.63663 15.643 9.65964 14.2824 17.8674 9.93423 14.7467 5.47516 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 9.49626 6.11663 7.63663 15.643 9.65964 14.2824 8.9375 9.34122 5.93792 11.0952 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.43143 8.83086 6.68311 10.5786 8.8178 8.1124 12.1059 6.77912 13.1473 12.0644 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.43143 8.83086 6.68311 16.2349 9.96708 15.0607 12.1059 6.77912 13.1473 7.11552 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 5.48831 5.50284 6.7212 13.0773 9.96708 11.6369 5.94737 7.321 5.00053 9.0131 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 5.48831 5.50284 6.7212 10.5933 9.78528 6.12361 5.94737 7.321 5.00053 6.11922 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 8.84131 8.38008 9.84673 8.90571 7.36792 5.09542 6.87786 9.94856 7.6114 5.498 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.26438 15.3293 8.84523 5.68669 8.69985 14.7654 10.7144 5.87358 5.38332 9.46098 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 6.43255 13.8299 8.84523 6.80429 8.69985 14.7654 9.77909 5.87358 5.38332 9.46098 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 7.4389 10.1404 8.84523 12.3794 8.69985 14.7654 8.77144 5.87358 5.38332 9.46098 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.64107 7.29402 6.04412 4.82909 4.99221 5.24229 10.0279 6.50039 5.97684 5.60178 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.84656 9.86688 7.27598 10.879 6.37586 6.50005 13.386 5.42582 7.26771 5.41704 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.84656 9.86688 7.27598 16.7911 9.71307 12.0971 13.386 5.42582 7.26771 6.17103 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 4.9155 9.86688 5.57904 9.30817 6.54501 7.41837 13.386 8.6355 7.26771 10.1448 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 4.9155 9.86688 5.57904 10.879 6.49416 6.50005 13.386 8.6355 7.26771 5.41704 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 8.49987 11.3888 5.57904 6.47843 6.54501 7.41837 15.6111 8.6355 7.26771 10.1448 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 8.49987 11.3888 5.57904 10.9399 6.49416 6.50005 15.6111 8.6355 7.26771 5.41704 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 9.42271 12.3347 5.57904 6.16353 6.54501 7.41837 11.8215 8.6355 7.26771 10.1448 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 9.42271 12.3347 5.57904 7.07625 6.49416 6.50005 11.8215 8.6355 7.26771 5.41704 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 5.92907 11.0219 6.14896 5.35615 7.56373 9.80484 10.2593 7.95911 4.86181 7.19056 numMergedOcc 0
23 mol 209 unq 1 iso 0 dist 5.92907 13.6092 9.12289 5.35615 7.56373 11.2544 10.2593 7.95911 7.37293 7.19056 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.14644 11.7698 6.21273 12.2116 9.23153 5.1021 8.02272 6.84247 5.33649 6.7067 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.14644 11.7698 6.21273 12.2116 9.23153 5.1021 9.32762 6.99002 12.5011 15.9568 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 8.14644 11.7698 6.21273 12.2916 8.24498 6.29601 8.02272 6.84247 5.33649 6.05129 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 8.14644 11.7698 6.21273 12.2916 8.24498 6.29601 9.32762 6.99002 12.5011 11.1321 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.88846 7.13239 8.5834 6.17038 7.54212 5.01062 5.66378 7.18956 4.78647 7.61682 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 6.17985 4.43412 7.93609 6.79111 8.1148 7.59919 7.02444 7.66365 5.3935 4.23801 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 6.17985 4.43412 7.93609 6.02958 8.33025 9.76823 7.02444 7.66365 5.3935 9.37715 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 9.80409 13.665 6.82526 4.63237 9.14619 10.9571 9.66751 7.47164 5.74092 7.49174 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 9.80409 13.665 6.82526 6.39263 8.45658 10.3274 9.66751 7.47164 5.74092 5.22253 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 8.49415 12.9437 5.3051 4.05162 8.4218 11.4819 9.3596 6.34034 6.10503 6.43013 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 9.91518 15.3461 8.83775 12.8387 8.44326 4.66992 7.70648 6.35287 9.59763 6.07447 numMergedOcc 0
