0 mol 6 unq 0 iso 0 dist 9.68907 8.5741 6.30562 11.4314 7.45519 7.39426 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.29367 8.35279 8.85591 10.0932 6.90106 6.25751 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.98624 5.41578 7.03812 12.6149 14.5957 8.6578 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.61209 10.3681 8.37544 14.2152 10.9658 9.06172 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.7638 8.11218 8.37544 14.3743 10.9658 9.06172 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 8.55679 8.11218 4.92955 14.3743 6.24438 9.06172 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 8.54119 5.60142 5.9644 12.3539 4.55823 8.34374 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 10.6431 5.69384 14.8126 7.96805 7.52634 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.03774 5.82527 5.33314 6.77889 6.87651 7.5344 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.6011 17.4337 9.47421 20.6926 12.1018 5.86234 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 7.9801 5.03475 7.59273 4.61854 6.86949 8.52966 numMergedOcc 0
11 mol 226 unq 1 iso 0 dist 6.17825 5.03475 6.62391 4.61854 5.14305 8.52966 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 6.01193 6.20465 8.35521 10.2561 11.4538 6.79491 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 7.40749 5.90533 8.35521 12.1542 11.4538 6.79491 numMergedOcc 0
14 mol 247 unq 0 iso 0 dist 8.72346 10.8475 6.81743 16.4975 10.7479 8.89199 numMergedOcc 0
15 mol 247 unq 1 iso 0 dist 7.39069 6.88702 6.81743 13.0002 10.7479 8.89199 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 6.86805 5.81384 9.39659 9.84057 7.00525 8.7324 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 6.86805 7.90451 8.25445 9.84057 7.00525 8.23438 numMergedOcc 0
18 mol 266 unq 2 iso 0 dist 6.86805 7.90451 8.25445 14.6742 9.84205 9.6996 numMergedOcc 0
19 mol 268 unq 0 iso 0 dist 9.7384 7.47414 5.60058 13.6249 5.28119 6.98033 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 5.49794 4.81143 5.63154 11.2683 13.0129 7.92537 numMergedOcc 0
