0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 10.789 9.55056 13.6379 16.4405 17.6947 8.60435 22.017 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 8.72114 10.1959 10.515 7.45262 9.97624 16.4405 17.6947 8.60435 17.4118 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 13.7792 8.94096 14.4294 5.7531 7.12263 7.27018 14.5611 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 15.4959 9.07858 11.4415 5.7531 7.12263 7.27018 12.9762 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 7.3915 8.53529 5.65816 12.8924 8.94096 14.4294 8.79272 7.12263 7.27018 14.5611 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 4.85329 9.07858 11.4415 8.79272 7.12263 7.27018 12.9762 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 13.5628 9.82483 11.6997 9.87669 12.419 6.59455 17.8892 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 11.0722 5.55437 8.076 6.81435 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 14.814 12.4029 6.32226 13.6861 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 11.1124 15.8538 6.2004 13.5349 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 7.23437 7.39754 8.29345 10.4552 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 5.31367 8.06525 8.809 11.177 12.7405 9.17466 7.70536 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 6.35763 9.87025 11.1099 4.99056 8.03035 8.8562 11.1324 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.99857 9.11344 6.96805 7.36192 5.85818 11.8717 4.99056 8.03035 8.8562 8.96522 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.56342 6.52773 6.96805 10.0197 9.87025 11.1099 3.78311 8.03035 8.8562 11.1324 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.56342 6.52773 6.96805 10.6679 5.85818 11.8717 3.78311 8.03035 8.8562 8.96522 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 8.56342 9.23858 13.3975 10.0197 9.87025 18.7646 3.78311 8.03035 7.91683 11.1324 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 8.56342 9.23858 13.3975 10.6679 5.85818 15.8603 3.78311 8.03035 7.91683 8.96522 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 7.00551 9.39683 10.9721 7.73656 9.35938 6.48674 5.32904 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 4.44751 7.82546 7.32555 7.48646 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 9.61561 7.82546 7.32555 7.48646 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 11.1651 7.01126 16.3661 4.24624 11.3531 9.71028 14.9153 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 9.17364 9.39352 11.9672 11.1651 6.58434 16.3661 4.24624 11.7939 9.71028 14.9153 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 6.66155 5.52678 6.37788 12.0339 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 5.4499 9.81666 8.7028 18.7006 numMergedOcc 0
