0 mol 1 unq 0 iso 0 dist 9.40771 14.0486 7.27254 14.1147 6.27888 8.26708 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.40771 14.0486 7.27254 13.813 4.50502 6.09918 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 8.7275 9.80295 7.27254 13.7925 6.27888 8.26708 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 8.7275 9.80295 7.27254 8.27735 4.50502 6.09918 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.61144 7.76627 6.98037 9.87656 5.31547 6.61823 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.13521 7.76627 6.9223 9.87656 4.3481 6.61823 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.13521 10.0556 7.0561 9.87656 4.3481 6.49956 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.43355 3.74136 7.8435 10.4641 16.1023 9.81831 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.43355 3.74136 7.8435 11.1217 12.4934 9.12858 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.43355 3.74136 7.8435 9.10877 10.8106 9.4523 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 5.64141 3.74136 5.99269 10.4641 13.1721 9.81831 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 5.64141 3.74136 5.99269 11.1217 11.0537 9.12858 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 5.64141 3.74136 5.99269 9.10877 7.14217 9.4523 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 5.46186 3.74136 5.71763 10.4641 9.34182 9.81831 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 5.46186 3.74136 5.71763 11.1217 12.0103 9.12858 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 5.46186 3.74136 5.71763 9.10877 12.9351 9.4523 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.44426 10.2492 8.75597 4.31067 3.9764 7.26086 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 5.80831 8.169 5.43933 14.4863 10.5563 6.43433 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 5.80831 8.169 5.43933 17.5335 12.6108 9.92283 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.8564 13.8319 5.11043 12.9769 4.46337 7.36779 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.8564 13.8319 5.11043 15.0247 7.41373 8.20836 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 9.62309 5.85339 7.19291 7.81701 4.91618 5.39064 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.73613 5.78019 9.43989 10.823 12.068 5.49226 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 8.73613 5.78019 9.43989 9.23551 5.59468 6.28351 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.68721 4.19444 6.11331 9.03632 13.7172 7.88319 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 9.31829 6.02267 6.07821 12.2095 4.48323 7.25742 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 5.4647 6.72936 8.25282 7.14849 6.42973 4.92088 numMergedOcc 0
27 mol 183 unq 0 iso 0 dist 7.09239 8.10426 9.20493 10.796 6.2342 8.54827 numMergedOcc 0
28 mol 183 unq 1 iso 0 dist 9.3066 6.87933 9.20493 9.09322 6.2342 8.54827 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 9.22792 7.74227 7.04815 17.566 13.6744 9.83476 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 5.00402 7.74227 6.07389 17.566 15.0914 9.83476 numMergedOcc 0
31 mol 196 unq 0 iso 0 dist 9.03626 3.93821 6.25813 9.56728 6.29158 8.20691 numMergedOcc 0
32 mol 212 unq 0 iso 0 dist 5.10392 6.12126 5.50658 11.4002 6.47488 8.57827 numMergedOcc 0
33 mol 212 unq 1 iso 0 dist 5.10392 6.12126 5.50658 8.13678 3.9436 6.29767 numMergedOcc 0
34 mol 212 unq 2 iso 0 dist 5.10392 11.7712 9.22129 8.13678 3.9436 8.74585 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 7.9002 8.96094 9.87668 14.4678 17.3148 8.87609 numMergedOcc 0
36 mol 251 unq 0 iso 0 dist 5.85851 8.44224 6.42747 10.5049 4.86046 8.01198 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 6.66615 5.50333 7.14086 10.5026 11.4167 6.04162 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 6.66615 5.50333 7.14086 10.25 13.2035 6.14323 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.35326 4.81143 5.8304 10.2545 6.5644 8.29305 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 5.35326 4.81143 5.8304 10.8638 9.40912 6.43341 numMergedOcc 0
