0 mol 8 unq 0 iso 0 dist 9.36227 7.46102 8.79328 9.47227 4.45895 6.31827 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.36227 9.47227 4.45895 7.46102 8.79328 6.31827 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.36227 7.46102 8.79328 9.91301 8.5845 8.4069 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.36227 9.91301 8.5845 7.46102 8.79328 8.4069 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.36227 9.47227 4.45895 9.91301 8.5845 5.27819 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 9.36227 9.91301 8.5845 9.47227 4.45895 5.27819 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 9.00229 11.0325 11.2395 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 4.67917 9.00229 11.0325 8.05508 5.29688 11.2395 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 5.81747 8.05508 12.0007 9.00229 10.9658 11.2395 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 5.81747 9.00229 10.9658 8.05508 12.0007 11.2395 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.59503 8.4545 4.73713 7.01176 4.36394 5.04493 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.59503 7.01176 4.36394 8.4545 4.73713 5.04493 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.61119 8.4545 9.29076 7.01176 4.39652 5.04493 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.61119 7.01176 4.39652 8.4545 9.29076 5.04493 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.36326 8.69069 3.96825 9.65047 16.7208 15.3836 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 8.36326 9.65047 16.7208 8.69069 3.96825 15.3836 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.84249 7.53905 4.34071 7.15985 11.6091 10.838 numMergedOcc 0
17 mol 112 unq 0 iso 1 dist 7.84249 7.15985 11.6091 7.53905 4.34071 10.838 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 6.40546 6.0968 8.61848 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 7.72434 6.40546 6.0968 7.91337 12.3603 8.61848 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.0455 9.28278 5.56946 8.78082 6.10584 10.5871 numMergedOcc 0
21 mol 129 unq 0 iso 1 dist 9.0455 8.78082 6.10584 9.28278 5.56946 10.5871 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.12336 9.50322 6.26797 5.82404 9.73435 8.18495 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 7.12336 5.82404 9.73435 9.50322 6.26797 8.18495 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 5.44125 5.83071 4.81807 7.07224 10.0008 6.37803 numMergedOcc 0
25 mol 183 unq 0 iso 1 dist 5.44125 7.07224 10.0008 5.83071 4.81807 6.37803 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 5.44125 5.83071 4.81807 9.82101 11.2316 7.09808 numMergedOcc 0
27 mol 183 unq 1 iso 1 dist 5.44125 9.82101 11.2316 5.83071 4.81807 7.09808 numMergedOcc 0
28 mol 183 unq 1 iso 0 dist 5.44125 7.07224 10.0008 9.82101 11.2316 7.29791 numMergedOcc 0
29 mol 183 unq 1 iso 1 dist 5.44125 9.82101 11.2316 7.07224 10.0008 7.29791 numMergedOcc 0
30 mol 183 unq 2 iso 0 dist 7.11505 5.83071 5.92045 7.07224 9.95614 6.37803 numMergedOcc 0
31 mol 183 unq 2 iso 1 dist 7.11505 7.07224 9.95614 5.83071 5.92045 6.37803 numMergedOcc 0
32 mol 183 unq 3 iso 0 dist 7.11505 5.83071 5.92045 9.82101 12.9864 7.09808 numMergedOcc 0
33 mol 183 unq 3 iso 1 dist 7.11505 9.82101 12.9864 5.83071 5.92045 7.09808 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 7.11505 7.07224 9.95614 9.82101 12.9864 7.29791 numMergedOcc 0
35 mol 183 unq 3 iso 1 dist 7.11505 9.82101 12.9864 7.07224 9.95614 7.29791 numMergedOcc 0
36 mol 183 unq 4 iso 0 dist 8.7143 5.83071 7.68618 7.07224 9.81623 6.37803 numMergedOcc 0
37 mol 183 unq 4 iso 1 dist 8.7143 7.07224 9.81623 5.83071 7.68618 6.37803 numMergedOcc 0
38 mol 183 unq 5 iso 0 dist 8.7143 5.83071 7.68618 9.82101 4.73001 7.09808 numMergedOcc 0
39 mol 183 unq 5 iso 1 dist 8.7143 9.82101 4.73001 5.83071 7.68618 7.09808 numMergedOcc 0
40 mol 183 unq 5 iso 0 dist 8.7143 7.07224 9.81623 9.82101 4.73001 7.29791 numMergedOcc 0
41 mol 183 unq 5 iso 1 dist 8.7143 9.82101 4.73001 7.07224 9.81623 7.29791 numMergedOcc 0
42 mol 196 unq 0 iso 0 dist 7.556 6.25429 4.57882 6.87731 6.70722 7.5617 numMergedOcc 0
43 mol 196 unq 0 iso 1 dist 7.556 6.87731 6.70722 6.25429 4.57882 7.5617 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 8.61427 7.0843 6.32514 7.73315 9.20709 4.72474 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 8.61427 7.73315 9.20709 7.0843 6.32514 4.72474 numMergedOcc 0
46 mol 218 unq 1 iso 0 dist 8.61427 7.0843 6.32514 6.9398 5.53181 6.17651 numMergedOcc 0
47 mol 218 unq 1 iso 1 dist 8.61427 6.9398 5.53181 7.0843 6.32514 6.17651 numMergedOcc 0
48 mol 218 unq 1 iso 0 dist 8.61427 7.73315 9.20709 6.9398 5.53181 5.61978 numMergedOcc 0
49 mol 218 unq 1 iso 1 dist 8.61427 6.9398 5.53181 7.73315 9.20709 5.61978 numMergedOcc 0
50 mol 219 unq 0 iso 0 dist 7.13496 4.87446 4.95329 7.49235 4.26247 6.74494 numMergedOcc 0
51 mol 219 unq 0 iso 1 dist 7.13496 7.49235 4.26247 4.87446 4.95329 6.74494 numMergedOcc 0
52 mol 237 unq 0 iso 0 dist 9.18638 9.42743 15.4677 9.5822 4.37008 16.5066 numMergedOcc 0
53 mol 237 unq 0 iso 1 dist 9.18638 9.5822 4.37008 9.42743 15.4677 16.5066 numMergedOcc 0
54 mol 251 unq 0 iso 0 dist 8.89433 9.228 7.37036 7.4878 8.64172 6.46034 numMergedOcc 0
55 mol 251 unq 0 iso 1 dist 8.89433 7.4878 8.64172 9.228 7.37036 6.46034 numMergedOcc 0
56 mol 257 unq 0 iso 0 dist 8.23739 6.36911 4.37426 7.82899 5.8531 5.6276 numMergedOcc 0
57 mol 257 unq 0 iso 1 dist 8.23739 7.82899 5.8531 6.36911 4.37426 5.6276 numMergedOcc 0
58 mol 292 unq 0 iso 0 dist 8.35169 9.64124 10.1669 9.30668 5.58251 5.4956 numMergedOcc 0
59 mol 292 unq 0 iso 1 dist 8.35169 9.30668 5.58251 9.64124 10.1669 5.4956 numMergedOcc 0
