0 mol 10 unq 0 iso 0 dist 7.99404 6.23648 9.06457 6.50444 5.04413 7.14537 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.75667 8.8955 8.03914 10.007 7.70908 9.50614 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.75667 8.8955 8.03914 16.0425 15.2015 8.34145 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.33754 7.45484 9.31516 12.1005 10.8961 5.40489 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.60995 10.6754 6.54758 17.5733 14.134 9.47401 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.36178 10.0381 7.91605 10.2763 4.19129 8.46627 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.36178 5.09707 6.43707 10.2763 4.19129 9.22208 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.06225 11.0447 8.5069 13.408 8.66335 9.08825 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.71103 3.45432 8.0318 8.59739 6.2804 8.51259 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.81273 3.86836 9.71722 4.49975 7.07978 5.42044 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 6.30128 4.45743 6.88696 4.77996 5.96497 7.31064 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.77869 13.5522 9.95076 13.7027 5.09521 9.43904 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 8.77869 12.6287 7.76112 13.7027 5.09521 7.01095 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.71223 3.6848 9.82338 6.26168 9.33116 8.5672 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.71223 5.33968 7.99933 9.18289 5.32701 5.67168 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.89207 7.95009 5.08438 11.9603 4.65091 6.396 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 9.0153 6.61517 5.08438 9.48766 4.65091 6.396 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 9.05505 6.29106 8.72885 6.50724 5.08264 4.76113 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 5.89788 3.59923 5.27487 12.4838 13.3672 9.37602 numMergedOcc 0
19 mol 217 unq 1 iso 0 dist 5.89788 3.59923 5.27487 10.9331 8.6943 8.26522 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.74371 7.07952 5.07975 8.73188 6.84149 8.14294 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 6.74371 4.6646 4.85015 8.73188 6.84149 5.72 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 6.74371 3.6886 8.15345 8.73188 6.84149 6.84052 numMergedOcc 0
23 mol 222 unq 3 iso 0 dist 6.74371 3.6886 8.15345 12.8159 12.7709 9.58086 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.97523 8.51677 9.0735 10.7535 7.30721 9.3502 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.97523 8.51677 9.0735 11.9592 5.22792 9.34821 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 8.97523 8.51677 9.0735 13.9086 10.0058 6.46405 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 6.44932 4.46929 8.31344 10.3757 13.0354 6.03081 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 6.44932 4.46929 8.31344 10.9793 10.4953 7.41433 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.46728 5.17342 8.28643 8.56975 12.4194 4.66186 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 9.19579 6.76489 8.07313 10.4087 8.17555 8.30024 numMergedOcc 0
31 mol 243 unq 1 iso 0 dist 9.19579 6.76489 8.07313 13.0938 7.40657 8.20943 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 8.78928 13.255 5.63226 11.7289 5.35498 9.02537 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.92332 10.9968 7.02131 15.0858 6.37045 8.1635 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 8.92332 12.7808 6.79765 15.0858 6.37045 6.22943 numMergedOcc 0
35 mol 292 unq 2 iso 0 dist 8.92332 12.7808 6.79765 20.0724 11.9688 9.31056 numMergedOcc 0
36 mol 292 unq 3 iso 0 dist 8.92332 9.55943 6.13272 15.0858 6.37045 9.23612 numMergedOcc 0
