0 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 8.16324 7.05541 9.62033 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.40479 8.16324 7.05541 4.90592 6.99746 9.62033 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.38831 9.69752 10.025 9.36461 6.99746 10.2653 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.38831 9.36461 6.99746 9.69752 10.025 10.2653 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.58012 4.90592 11.8996 8.16324 9.15493 9.62033 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 9.58012 8.16324 9.15493 4.90592 11.8996 9.62033 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 9.63403 6.62645 6.47508 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 8.63361 9.63403 6.62645 6.15801 5.89577 6.47508 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 8.07314 6.27366 9.89387 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 8.63361 8.07314 6.27366 6.15801 5.89577 9.89387 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.63361 9.63403 6.62645 8.07314 6.27366 10.4405 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 8.63361 8.07314 6.27366 9.63403 6.62645 10.4405 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.03028 8.57827 12.6909 7.94453 7.57205 11.7781 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.03028 7.94453 7.57205 8.57827 12.6909 11.7781 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.39754 8.57827 15.1698 7.94453 6.82081 11.7781 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 7.39754 7.94453 6.82081 8.57827 15.1698 11.7781 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 8.44437 7.71923 7.41096 9.87821 4.88348 4.32675 numMergedOcc 0
17 mol 105 unq 0 iso 1 dist 8.44437 9.87821 4.88348 7.71923 7.41096 4.32675 numMergedOcc 0
18 mol 105 unq 1 iso 0 dist 8.44437 7.71923 7.41096 7.09806 4.22355 6.37217 numMergedOcc 0
19 mol 105 unq 1 iso 1 dist 8.44437 7.09806 4.22355 7.71923 7.41096 6.37217 numMergedOcc 0
20 mol 105 unq 1 iso 0 dist 8.44437 9.87821 4.88348 7.09806 4.22355 5.73435 numMergedOcc 0
21 mol 105 unq 1 iso 1 dist 8.44437 7.09806 4.22355 9.87821 4.88348 5.73435 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.03035 8.8562 6.96805 7.91683 13.3975 12.3703 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 8.03035 7.91683 13.3975 8.8562 6.96805 12.3703 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.6968 8.8562 4.86811 7.91683 8.00229 12.3703 numMergedOcc 0
25 mol 119 unq 1 iso 1 dist 7.6968 7.91683 8.00229 8.8562 4.86811 12.3703 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 8.50562 10.9757 5.37172 numMergedOcc 0
27 mol 131 unq 0 iso 1 dist 7.76594 8.50562 10.9757 5.44303 5.67023 5.37172 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 6.73983 4.38393 6.33946 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 8.93453 6.73983 4.38393 9.78667 9.21506 6.33946 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 8.93453 9.78667 9.21506 7.64956 6.06881 12.8394 numMergedOcc 0
31 mol 141 unq 1 iso 1 dist 8.93453 7.64956 6.06881 9.78667 9.21506 12.8394 numMergedOcc 0
32 mol 141 unq 1 iso 0 dist 8.93453 6.73983 4.38393 7.64956 6.06881 6.59975 numMergedOcc 0
33 mol 141 unq 1 iso 1 dist 8.93453 7.64956 6.06881 6.73983 4.38393 6.59975 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 8.26172 4.46777 6.52248 6.94988 4.98952 6.51325 numMergedOcc 0
35 mol 141 unq 2 iso 1 dist 8.26172 6.94988 4.98952 4.46777 6.52248 6.51325 numMergedOcc 0
36 mol 162 unq 0 iso 0 dist 8.53374 7.14263 3.76192 8.57005 11.41 10.0763 numMergedOcc 0
37 mol 162 unq 0 iso 1 dist 8.53374 8.57005 11.41 7.14263 3.76192 10.0763 numMergedOcc 0
38 mol 163 unq 0 iso 0 dist 7.3546 9.79069 15.9955 9.27496 5.87447 15.4815 numMergedOcc 0
39 mol 163 unq 0 iso 1 dist 7.3546 9.27496 5.87447 9.79069 15.9955 15.4815 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 7.32419 8.05247 11.2348 9.71028 8.94702 6.91059 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 7.32419 9.71028 8.94702 8.05247 11.2348 6.91059 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 8.31961 8.05247 9.23758 9.71028 4.06277 6.91059 numMergedOcc 0
43 mol 175 unq 1 iso 1 dist 8.31961 9.71028 4.06277 8.05247 9.23758 6.91059 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 8.12349 4.5271 6.16503 7.02575 9.6472 6.68665 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 8.12349 7.02575 9.6472 4.5271 6.16503 6.68665 numMergedOcc 0
46 mol 193 unq 0 iso 0 dist 5.44396 7.8141 6.03632 8.43187 10.6169 12.9373 numMergedOcc 0
47 mol 193 unq 0 iso 1 dist 5.44396 8.43187 10.6169 7.8141 6.03632 12.9373 numMergedOcc 0
48 mol 193 unq 1 iso 0 dist 6.22972 7.8141 7.58433 8.43187 5.56664 12.9373 numMergedOcc 0
49 mol 193 unq 1 iso 1 dist 6.22972 8.43187 5.56664 7.8141 7.58433 12.9373 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 6.53728 9.23935 14.3973 7.77552 13.923 4.23863 numMergedOcc 0
51 mol 225 unq 0 iso 1 dist 6.53728 7.77552 13.923 9.23935 14.3973 4.23863 numMergedOcc 0
52 mol 237 unq 0 iso 0 dist 7.63812 5.6703 5.90415 8.72819 9.2471 6.08027 numMergedOcc 0
53 mol 237 unq 0 iso 1 dist 7.63812 8.72819 9.2471 5.6703 5.90415 6.08027 numMergedOcc 0
54 mol 237 unq 1 iso 0 dist 7.63812 6.07878 11.0622 7.80422 9.12884 5.62416 numMergedOcc 0
55 mol 237 unq 1 iso 1 dist 7.63812 7.80422 9.12884 6.07878 11.0622 5.62416 numMergedOcc 0
56 mol 237 unq 2 iso 0 dist 7.63812 6.07878 11.0622 5.06628 6.26206 8.65228 numMergedOcc 0
57 mol 237 unq 2 iso 1 dist 7.63812 5.06628 6.26206 6.07878 11.0622 8.65228 numMergedOcc 0
58 mol 237 unq 2 iso 0 dist 7.63812 7.80422 9.12884 5.06628 6.26206 6.60537 numMergedOcc 0
59 mol 237 unq 2 iso 1 dist 7.63812 5.06628 6.26206 7.80422 9.12884 6.60537 numMergedOcc 0
60 mol 237 unq 3 iso 0 dist 8.51129 6.07878 10.1757 7.80422 5.77883 5.62416 numMergedOcc 0
61 mol 237 unq 3 iso 1 dist 8.51129 7.80422 5.77883 6.07878 10.1757 5.62416 numMergedOcc 0
62 mol 237 unq 4 iso 0 dist 8.51129 6.07878 10.1757 5.06628 3.97854 8.65228 numMergedOcc 0
63 mol 237 unq 4 iso 1 dist 8.51129 5.06628 3.97854 6.07878 10.1757 8.65228 numMergedOcc 0
64 mol 237 unq 4 iso 0 dist 8.51129 7.80422 5.77883 5.06628 3.97854 6.60537 numMergedOcc 0
65 mol 237 unq 4 iso 1 dist 8.51129 5.06628 3.97854 7.80422 5.77883 6.60537 numMergedOcc 0
66 mol 237 unq 5 iso 0 dist 9.53139 9.54499 11.2776 9.36216 6.12402 6.08027 numMergedOcc 0
67 mol 237 unq 5 iso 1 dist 9.53139 9.36216 6.12402 9.54499 11.2776 6.08027 numMergedOcc 0
