0 mol 25 unq 0 iso 0 dist 7.685 8.6653 12.9735 7.6114 7.1845 10.8122 7.03372 4.60034 10.3493 9.34154 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 7.26268 5.57199 6.30042 8.91596 4.84198 10.8132 6.37026 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.89374 7.68678 12.0055 8.96727 14.6599 5.66912 7.17488 4.43437 8.76454 10.5853 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.89374 7.68678 12.0055 8.01308 9.47022 5.76523 7.17488 4.43437 8.76454 5.11422 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 7.12321 9.88768 14.005 4.86198 10.4337 13.6186 4.38233 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.13087 6.02816 6.93907 8.72682 10.1413 13.952 8.62079 15.7104 12.0718 14.0236 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.13087 6.02816 6.93907 6.45841 7.79034 6.26495 8.62079 15.7104 12.0718 11.9118 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.13087 6.02816 6.93907 5.61588 8.97361 8.26195 8.62079 15.7104 12.0718 10.0644 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.13087 6.02816 6.93907 7.83244 10.2983 12.382 8.62079 15.7104 12.0718 12.1501 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.96555 5.37007 6.85455 7.13008 10.6094 6.26082 4.17838 4.07336 3.77771 7.35325 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.52634 9.39352 7.60254 9.63417 4.14392 6.43397 9.19156 16.559 11.8094 14.8784 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.98142 5.94469 8.93991 6.64173 4.48306 4.98436 8.29467 9.55459 3.63671 5.09584 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.98142 5.94469 8.93991 9.01624 12.2513 11.9796 8.29467 9.55459 3.63671 11.4645 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 7.98142 5.94469 8.93991 9.55105 10.2172 12.3589 8.29467 9.55459 3.63671 11.5807 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 7.37327 5.94469 5.35588 6.64173 4.88823 4.98436 8.29467 7.66761 3.63671 5.09584 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 7.37327 5.94469 5.35588 9.01624 14.8923 11.9796 8.29467 7.66761 3.63671 11.4645 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 7.37327 5.94469 5.35588 9.55105 14.2334 12.3589 8.29467 7.66761 3.63671 11.5807 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 8.97589 9.68365 3.7949 9.84566 4.11581 5.05856 6.68311 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 9.52936 6.42735 7.4793 8.97589 9.68365 3.7949 8.22001 12.4034 5.69882 3.88698 numMergedOcc 0
19 mol 184 unq 2 iso 0 dist 9.52936 6.42735 7.4793 5.96423 11.6883 4.67256 9.84566 4.11581 5.05856 9.71065 numMergedOcc 0
20 mol 184 unq 3 iso 0 dist 9.52936 6.42735 7.4793 5.96423 11.6883 4.67256 8.22001 12.4034 5.69882 3.30691 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 6.0965 7.37798 6.17282 8.21793 4.31175 8.75651 8.82761 14.229 15.5804 14.4808 numMergedOcc 0
22 mol 213 unq 1 iso 0 dist 6.0965 7.73322 10.5013 8.21793 4.31175 8.99471 8.82761 14.229 6.78109 14.4808 numMergedOcc 0
23 mol 213 unq 2 iso 0 dist 9.59129 7.37798 12.1116 8.21793 4.89372 8.75651 8.82761 14.9475 15.5804 14.4808 numMergedOcc 0
24 mol 213 unq 3 iso 0 dist 9.59129 7.73322 9.93085 8.21793 4.89372 8.99471 8.82761 14.9475 6.78109 14.4808 numMergedOcc 0
25 mol 219 unq 0 iso 0 dist 4.87541 7.59632 3.92926 4.33238 3.78261 5.75906 9.64116 5.88671 8.27505 8.59843 numMergedOcc 0
