0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 13.862 5.32694 5.46498 6.58035 19.1237 10.4155 8.71745 12.1189 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 19.1237 10.4155 8.71745 12.1189 13.862 5.32694 5.46498 6.58035 5.74188 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 13.3732 5.06502 5.73819 13.5377 12.9363 6.45462 8.93915 13.7177 5.89973 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 12.9363 6.45462 8.93915 13.7177 13.3732 5.06502 5.73819 13.5377 5.89973 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 9.01612 5.30792 6.86465 11.4118 4.88613 4.81926 6.35756 9.66798 5.35073 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 4.88613 4.81926 6.35756 9.66798 9.01612 5.30792 6.86465 11.4118 5.35073 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 9.01612 5.35073 6.86465 8.63333 6.36193 4.81926 6.62496 11.5023 5.30792 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 6.36193 4.81926 6.62496 11.5023 9.01612 5.35073 6.86465 8.63333 5.30792 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 19.1673 12.5396 8.84665 12.8699 14.3301 8.19458 8.25513 11.6249 6.40295 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 14.3301 8.19458 8.25513 11.6249 19.1673 12.5396 8.84665 12.8699 6.40295 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 11.0671 5.4148 9.96396 8.70133 13.2599 13.3558 8.70481 15.9587 14.9342 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 13.2599 13.3558 8.70481 15.9587 11.0671 5.4148 9.96396 8.70133 14.9342 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 14.1021 11.5723 7.30858 11.695 12.6493 8.02349 5.83991 13.9977 10.8507 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 12.6493 8.02349 5.83991 13.9977 14.1021 11.5723 7.30858 11.695 10.8507 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 14.1021 11.5723 7.30858 10.0603 12.6493 8.02349 5.83991 9.65429 10.8507 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 12.6493 8.02349 5.83991 9.65429 14.1021 11.5723 7.30858 10.0603 10.8507 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 17.0624 11.5723 7.30858 11.695 13.7044 8.02349 5.83991 13.9977 10.8507 numMergedOcc 0
17 mol 115 unq 2 iso 1 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 13.7044 8.02349 5.83991 13.9977 17.0624 11.5723 7.30858 11.695 10.8507 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 17.0624 11.5723 7.30858 10.0603 13.7044 8.02349 5.83991 9.65429 10.8507 numMergedOcc 0
19 mol 115 unq 3 iso 1 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 13.7044 8.02349 5.83991 9.65429 17.0624 11.5723 7.30858 10.0603 10.8507 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 15.7871 10.7062 8.40312 12.5969 10.4432 6.63273 7.12972 8.6243 5.55373 numMergedOcc 0
21 mol 131 unq 0 iso 1 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 10.4432 6.63273 7.12972 8.6243 15.7871 10.7062 8.40312 12.5969 5.55373 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 15.7871 10.7062 8.40312 13.6559 10.4432 6.63273 7.12972 12.9472 5.55373 numMergedOcc 0
23 mol 131 unq 1 iso 1 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 10.4432 6.63273 7.12972 12.9472 15.7871 10.7062 8.40312 13.6559 5.55373 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 15.5083 11.965 6.29155 17.2931 11.5178 7.79672 6.80239 15.1694 7.81217 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 11.5178 7.79672 6.80239 15.1694 15.5083 11.965 6.29155 17.2931 7.81217 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 9.60411 5.49782 6.37586 5.42582 14.0674 8.80819 6.49416 8.6355 5.00817 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 14.0674 8.80819 6.49416 8.6355 9.60411 5.49782 6.37586 5.42582 5.00817 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 9.92932 5.49782 8.94367 8.79571 14.0674 5.00817 6.49416 8.6355 8.80819 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 14.0674 5.00817 6.49416 8.6355 9.92932 5.49782 8.94367 8.79571 8.80819 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 12.1043 5.49782 6.37586 5.42582 16.0579 8.80819 6.49416 8.6355 5.00817 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 16.0579 8.80819 6.49416 8.6355 12.1043 5.49782 6.37586 5.42582 5.00817 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 13.1529 5.42328 5.87555 12.4808 12.6103 6.4896 8.67331 14.1119 5.54906 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 12.6103 6.4896 8.67331 14.1119 13.1529 5.42328 5.87555 12.4808 5.54906 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 13.1529 5.42328 8.87437 12.4808 12.6103 6.4896 8.05741 14.1119 5.54906 numMergedOcc 0
35 mol 152 unq 1 iso 1 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 12.6103 6.4896 8.05741 14.1119 13.1529 5.42328 8.87437 12.4808 5.54906 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 8.46129 5.0744 9.16166 10.8259 9.2053 5.60236 5.81334 10.2775 6.91102 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 9.2053 5.60236 5.81334 10.2775 8.46129 5.0744 9.16166 10.8259 6.91102 numMergedOcc 0
