0 mol 93 unq 0 iso 0 dist 9.43355 3.74136 7.8435 10.4641 16.1023 9.81831 7.29701 14.9656 7.62611 4.4022 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 9.43355 3.74136 7.8435 11.1217 12.4934 9.12858 7.29701 14.9656 7.62611 8.96224 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 9.43355 3.74136 7.8435 9.10877 10.8106 9.4523 7.29701 14.9656 7.62611 10.3849 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 5.64141 3.74136 5.99269 10.4641 13.1721 9.81831 7.29701 11.5397 7.62611 4.4022 numMergedOcc 0
4 mol 93 unq 4 iso 0 dist 5.64141 3.74136 5.99269 11.1217 11.0537 9.12858 7.29701 11.5397 7.62611 8.96224 numMergedOcc 0
5 mol 93 unq 5 iso 0 dist 5.64141 3.74136 5.99269 9.10877 7.14217 9.4523 7.29701 11.5397 7.62611 10.3849 numMergedOcc 0
6 mol 93 unq 6 iso 0 dist 5.46186 3.74136 5.71763 10.4641 9.34182 9.81831 7.29701 5.43515 7.62611 4.4022 numMergedOcc 0
7 mol 93 unq 7 iso 0 dist 5.46186 3.74136 5.71763 11.1217 12.0103 9.12858 7.29701 5.43515 7.62611 8.96224 numMergedOcc 0
8 mol 93 unq 8 iso 0 dist 5.46186 3.74136 5.71763 9.10877 12.9351 9.4523 7.29701 5.43515 7.62611 10.3849 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.44426 10.2492 8.75597 4.31067 3.9764 7.26086 8.33845 3.94967 8.43352 7.06961 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.8564 13.8319 5.11043 12.9769 4.46337 7.36779 11.4228 6.93712 9.30061 7.1797 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.8564 13.8319 5.11043 15.0247 7.41373 8.20836 11.4228 6.93712 9.30061 4.57832 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.73613 5.78019 9.43989 10.823 12.068 5.49226 6.6094 3.88427 7.25644 11.1681 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 8.73613 5.78019 9.43989 9.23551 5.59468 6.28351 6.6094 3.88427 7.25644 5.50251 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.68721 4.19444 6.11331 9.03632 13.7172 7.88319 10.1408 11.3715 6.76055 6.4079 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 6.68721 4.19444 6.11331 9.03632 13.7172 7.88319 10.0208 14.1217 9.36343 4.25067 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.22792 7.74227 7.04815 17.566 13.6744 9.83476 9.49913 3.87169 4.5271 10.5063 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.22792 7.74227 7.04815 17.566 13.6744 9.83476 7.77211 8.65911 7.02575 14.4429 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 5.00402 7.74227 6.07389 17.566 15.0914 9.83476 9.49913 5.65634 4.5271 10.5063 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 5.00402 7.74227 6.07389 17.566 15.0914 9.83476 7.77211 3.87082 7.02575 14.4429 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 9.03626 3.93821 6.25813 9.56728 6.29158 8.20691 7.5257 7.91487 8.57986 8.61276 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 7.9002 8.96094 9.87668 14.4678 17.3148 8.87609 15.6676 18.9885 9.23935 5.76292 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 7.9002 8.96094 9.87668 14.4678 17.3148 8.87609 15.6658 17.5145 7.77552 8.21235 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.66615 5.50333 7.14086 10.5026 11.4167 6.04162 8.68638 13.0036 7.21655 6.26382 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 6.66615 5.50333 7.14086 10.25 13.2035 6.14323 8.68638 13.0036 7.21655 5.24812 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.35326 4.81143 5.8304 10.2545 6.5644 8.29305 13.6311 11.0079 9.30921 9.37316 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 5.35326 4.81143 5.8304 10.8638 9.40912 6.43341 13.6311 11.0079 9.30921 5.58929 numMergedOcc 0
