0 mol 19 unq 0 iso 0 dist 4.54938 7.82074 5.03957 5.18512 6.92532 6.36455 11.6624 10.3648 6.49317 7.69625 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.82074 4.54938 5.03957 5.18512 6.36455 6.92532 11.6624 6.49317 10.3648 7.69625 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 11.2485 9.48345 13.1456 9.40479 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 11.2485 13.1456 9.48345 9.40479 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 11.9933 14.4162 10.0655 9.58012 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 11.9933 10.0655 14.4162 9.58012 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.06158 9.93832 8.60739 10.0649 7.05402 5.48048 7.31982 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 9.06158 8.60739 9.93832 10.0649 5.48048 7.05402 7.31982 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 3.98564 7.23962 7.30204 13.2485 6.89221 9.96887 9.74569 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 7.45389 9.60462 7.05226 3.98564 7.30204 7.23962 13.2485 9.96887 6.89221 9.74569 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 16.4092 11.5688 15.7796 7.76594 numMergedOcc 0
11 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 16.4092 15.7796 11.5688 7.76594 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 9.35627 9.77552 8.28642 10.4911 7.2238 5.59336 6.39031 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 9.35627 8.28642 9.77552 10.4911 5.59336 7.2238 6.39031 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 5.82636 6.2319 9.97732 7.73169 5.71107 11.2067 4.9941 numMergedOcc 0
15 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 5.82636 9.97732 6.2319 7.73169 11.2067 5.71107 4.9941 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 5.82636 6.2319 9.97732 5.38091 10.7023 9.00862 8.06913 numMergedOcc 0
17 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 5.82636 9.97732 6.2319 5.38091 9.00862 10.7023 8.06913 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.54065 8.87694 5.74635 8.90184 7.20574 6.85302 15.9107 12.7155 9.97575 7.55358 numMergedOcc 0
19 mol 186 unq 0 iso 1 dist 8.87694 7.54065 5.74635 8.90184 6.85302 7.20574 15.9107 9.97575 12.7155 7.55358 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 8.90184 7.20574 6.85302 15.8402 11.2142 7.92653 8.87818 numMergedOcc 0
21 mol 186 unq 1 iso 1 dist 8.87694 7.54065 5.74635 8.90184 6.85302 7.20574 15.8402 7.92653 11.2142 8.87818 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 11.0628 8.38865 5.4694 8.03442 10.5813 7.22396 9.56257 numMergedOcc 0
23 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 11.0628 5.4694 8.38865 8.03442 7.22396 10.5813 9.56257 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 11.056 6.53679 7.50201 12.322 6.28227 5.25252 8.55481 numMergedOcc 0
25 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 11.056 7.50201 6.53679 12.322 5.25252 6.28227 8.55481 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 8.1715 9.2288 6.0987 5.23748 6.53679 7.50201 12.2615 6.28227 5.25252 8.55481 numMergedOcc 0
27 mol 252 unq 1 iso 1 dist 9.2288 8.1715 6.0987 5.23748 7.50201 6.53679 12.2615 5.25252 6.28227 8.55481 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 7.42673 6.70815 7.99477 9.53063 6.6525 5.27959 6.47194 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 6.42289 6.60405 7.26417 7.42673 7.99477 6.70815 9.53063 5.27959 6.6525 6.47194 numMergedOcc 0
