0 mol 8 unq 0 iso 0 dist 7.12263 5.00267 9.515 8.77457 7.35217 11.1833 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 5.00267 7.12263 9.515 8.77457 11.1833 7.35217 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.40479 9.58012 13.4961 4.90592 6.99746 11.8996 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.58012 9.40479 13.4961 4.90592 11.8996 6.99746 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.40479 9.58012 13.4961 8.16324 7.05541 9.15493 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.58012 9.40479 13.4961 8.16324 9.15493 7.05541 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 9.72965 5.63315 12.4034 7.40415 12.67 7.00226 numMergedOcc 0
7 mol 28 unq 0 iso 1 dist 5.63315 9.72965 12.4034 7.40415 7.00226 12.67 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.72965 9.8465 10.0322 7.40415 12.67 5.93722 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 9.8465 9.72965 10.0322 7.40415 5.93722 12.67 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 5.63315 9.8465 8.71076 7.40415 7.00226 5.93722 numMergedOcc 0
11 mol 28 unq 1 iso 1 dist 9.8465 5.63315 8.71076 7.40415 5.93722 7.00226 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 7.51138 9.86843 8.04554 7.31784 8.39589 6.30226 numMergedOcc 0
13 mol 90 unq 0 iso 1 dist 9.86843 7.51138 8.04554 7.31784 6.30226 8.39589 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 7.51138 6.86146 8.25639 7.31784 8.39589 7.57639 numMergedOcc 0
15 mol 90 unq 1 iso 1 dist 6.86146 7.51138 8.25639 7.31784 7.57639 8.39589 numMergedOcc 0
16 mol 90 unq 2 iso 0 dist 7.51138 8.83296 12.234 7.31784 8.39589 4.215 numMergedOcc 0
17 mol 90 unq 2 iso 1 dist 8.83296 7.51138 12.234 7.31784 4.215 8.39589 numMergedOcc 0
18 mol 90 unq 1 iso 0 dist 9.86843 6.86146 5.13197 7.31784 6.30226 7.57639 numMergedOcc 0
19 mol 90 unq 1 iso 1 dist 6.86146 9.86843 5.13197 7.31784 7.57639 6.30226 numMergedOcc 0
20 mol 90 unq 2 iso 0 dist 9.86843 8.83296 8.66327 7.31784 6.30226 4.215 numMergedOcc 0
21 mol 90 unq 2 iso 1 dist 8.83296 9.86843 8.66327 7.31784 4.215 6.30226 numMergedOcc 0
22 mol 90 unq 2 iso 0 dist 6.86146 8.83296 8.87987 7.31784 7.57639 4.215 numMergedOcc 0
23 mol 90 unq 2 iso 1 dist 8.83296 6.86146 8.87987 7.31784 4.215 7.57639 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 8.03028 7.39754 7.72337 8.57827 12.6909 15.1698 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 7.39754 8.03028 7.72337 8.57827 15.1698 12.6909 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 8.03028 7.39754 7.72337 7.94453 7.57205 6.82081 numMergedOcc 0
27 mol 92 unq 1 iso 1 dist 7.39754 8.03028 7.72337 7.94453 6.82081 7.57205 numMergedOcc 0
28 mol 92 unq 2 iso 0 dist 8.48184 9.01011 7.72337 7.39179 13.3326 9.01596 numMergedOcc 0
29 mol 92 unq 2 iso 1 dist 9.01011 8.48184 7.72337 7.39179 9.01596 13.3326 numMergedOcc 0
30 mol 92 unq 2 iso 0 dist 7.39754 9.01011 6.9603 8.29345 5.8102 9.98219 numMergedOcc 0
31 mol 92 unq 2 iso 1 dist 9.01011 7.39754 6.9603 8.29345 9.98219 5.8102 numMergedOcc 0
32 mol 93 unq 0 iso 0 dist 5.51624 7.8674 12.9364 7.62611 11.4196 8.05783 numMergedOcc 0
33 mol 93 unq 0 iso 1 dist 7.8674 5.51624 12.9364 7.62611 8.05783 11.4196 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.03035 7.6968 8.77578 8.8562 6.96805 4.86811 numMergedOcc 0
35 mol 119 unq 0 iso 1 dist 7.6968 8.03035 8.77578 8.8562 4.86811 6.96805 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 8.03035 7.6968 8.77578 7.91683 13.3975 8.00229 numMergedOcc 0
37 mol 119 unq 1 iso 1 dist 7.6968 8.03035 8.77578 7.91683 8.00229 13.3975 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 5.90883 8.06913 4.10961 7.46845 11.3995 11.6326 numMergedOcc 0
39 mol 156 unq 0 iso 1 dist 8.06913 5.90883 4.10961 7.46845 11.6326 11.3995 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 7.32419 8.31961 5.84099 8.05247 11.2348 9.23758 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 8.31961 7.32419 5.84099 8.05247 9.23758 11.2348 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 7.32419 8.31961 5.84099 9.71028 8.94702 4.06277 numMergedOcc 0
43 mol 175 unq 1 iso 1 dist 8.31961 7.32419 5.84099 9.71028 4.06277 8.94702 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 7.55358 7.60991 7.61858 7.46987 13.1254 8.74186 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 7.60991 7.55358 7.61858 7.46987 8.74186 13.1254 numMergedOcc 0
46 mol 193 unq 0 iso 0 dist 5.44396 6.22972 6.94466 7.8141 6.03632 7.58433 numMergedOcc 0
47 mol 193 unq 0 iso 1 dist 6.22972 5.44396 6.94466 7.8141 7.58433 6.03632 numMergedOcc 0
48 mol 193 unq 1 iso 0 dist 5.44396 6.22972 6.94466 8.43187 10.6169 5.56664 numMergedOcc 0
49 mol 193 unq 1 iso 1 dist 6.22972 5.44396 6.94466 8.43187 5.56664 10.6169 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 5.52678 9.81666 7.62717 5.68348 8.43261 13.8424 numMergedOcc 0
51 mol 194 unq 0 iso 1 dist 9.81666 5.52678 7.62717 5.68348 13.8424 8.43261 numMergedOcc 0
52 mol 237 unq 0 iso 0 dist 7.63812 8.51129 6.92726 6.07878 11.0622 10.1757 numMergedOcc 0
53 mol 237 unq 0 iso 1 dist 8.51129 7.63812 6.92726 6.07878 10.1757 11.0622 numMergedOcc 0
54 mol 237 unq 1 iso 0 dist 7.63812 8.51129 6.92726 7.80422 9.12884 5.77883 numMergedOcc 0
55 mol 237 unq 1 iso 1 dist 8.51129 7.63812 6.92726 7.80422 5.77883 9.12884 numMergedOcc 0
56 mol 237 unq 2 iso 0 dist 7.63812 8.51129 6.92726 5.06628 6.26206 3.97854 numMergedOcc 0
57 mol 237 unq 2 iso 1 dist 8.51129 7.63812 6.92726 5.06628 3.97854 6.26206 numMergedOcc 0
58 mol 237 unq 3 iso 0 dist 7.31113 9.84466 4.98662 6.11495 6.12402 10.634 numMergedOcc 0
59 mol 237 unq 3 iso 1 dist 9.84466 7.31113 4.98662 6.11495 10.634 6.12402 numMergedOcc 0
