0 mol 0 unq 0 iso 0 dist 8.27602 8.95894 3.37295 7.41411 9.72725 10.7838 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.10473 9.20827 4.64241 13.7275 7.52933 8.23761 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.20827 9.10473 4.64241 13.7275 8.23761 7.52933 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.31516 9.90852 10.8877 14.9509 7.28228 17.5106 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.79157 7.91605 9.76138 5.72472 8.72682 5.61588 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.79157 6.43707 5.81659 5.72472 8.72682 7.83244 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.91605 5.79157 9.76138 6.71593 5.5087 10.2939 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.91605 5.79157 9.76138 5.72472 5.61588 8.72682 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.91605 6.43707 5.30471 6.71593 5.5087 6.08682 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.91605 6.43707 5.30471 5.72472 5.61588 7.83244 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 6.43707 5.79157 5.81659 6.71593 6.08682 10.2939 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 6.43707 5.79157 5.81659 5.72472 7.83244 8.72682 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 6.43707 7.91605 5.30471 6.71593 6.08682 5.5087 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 6.43707 7.91605 5.30471 5.72472 7.83244 5.61588 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 8.74603 7.51011 4.79267 7.53428 9.87329 11.9471 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 9.95076 7.76112 3.77838 8.35998 7.37333 7.45998 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 7.76112 9.95076 3.77838 8.35998 7.45998 7.37333 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 6.95432 7.97 5.7125 12.2822 7.06025 12.0355 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 6.95432 9.32853 10.4045 12.2822 7.06025 15.7548 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.82338 7.99933 6.09215 9.653 8.90571 12.3127 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.82338 7.99933 6.09215 10.568 6.61112 11.4283 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 5.07975 4.85015 3.58181 5.66819 5.56538 7.48954 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 5.07975 8.15345 8.23638 5.66819 5.56538 12.0028 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 5.07975 5.71304 9.03919 5.66819 5.56538 11.3654 numMergedOcc 0
24 mol 222 unq 3 iso 0 dist 4.85015 5.07975 3.58181 5.66819 7.48954 5.56538 numMergedOcc 0
25 mol 222 unq 4 iso 0 dist 4.85015 8.15345 4.79329 5.66819 7.48954 12.0028 numMergedOcc 0
26 mol 222 unq 5 iso 0 dist 4.85015 5.71304 7.3861 5.66819 7.48954 11.3654 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 8.85178 9.73123 12.841 4.67731 6.42257 9.33543 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 9.73123 8.85178 12.841 4.67731 9.33543 6.42257 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.53006 6.83837 3.46869 5.0871 9.07475 6.99888 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.83837 9.53006 3.46869 5.0871 6.99888 9.07475 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 6.83837 9.53006 3.46869 7.34986 9.08509 12.47 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.79765 7.02131 3.52904 9.91235 9.74118 12.7664 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 6.79765 6.13272 4.99426 9.91235 9.74118 11.3379 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 6.79765 7.02679 8.21724 9.91235 9.74118 14.1177 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 6.79765 9.08889 13.253 9.91235 9.74118 18.998 numMergedOcc 0
36 mol 292 unq 4 iso 0 dist 6.13272 7.02131 5.93352 12.9146 9.46442 15.0074 numMergedOcc 0
37 mol 292 unq 5 iso 0 dist 6.13272 6.79765 4.99426 12.9146 9.46442 14.4052 numMergedOcc 0
38 mol 292 unq 6 iso 0 dist 6.13272 7.02679 3.57128 12.9146 9.46442 7.30758 numMergedOcc 0
39 mol 292 unq 7 iso 0 dist 6.13272 9.08889 11.4257 12.9146 9.46442 14.8054 numMergedOcc 0
40 mol 292 unq 8 iso 0 dist 7.02679 7.02131 7.95391 13.9754 9.9182 16.1163 numMergedOcc 0
41 mol 292 unq 9 iso 0 dist 7.02679 7.02131 7.95391 12.9146 7.30758 15.0074 numMergedOcc 0
42 mol 292 unq 10 iso 0 dist 7.02679 7.02131 7.95391 5.4258 9.10788 12.0959 numMergedOcc 0
43 mol 292 unq 11 iso 0 dist 7.02679 6.79765 8.21724 13.9754 9.9182 17.5894 numMergedOcc 0
44 mol 292 unq 12 iso 0 dist 7.02679 6.79765 8.21724 12.9146 7.30758 14.4052 numMergedOcc 0
45 mol 292 unq 13 iso 0 dist 7.02679 6.79765 8.21724 5.4258 9.10788 12.0935 numMergedOcc 0
46 mol 292 unq 14 iso 0 dist 7.02679 6.13272 3.57128 13.9754 9.9182 13.4489 numMergedOcc 0
47 mol 292 unq 15 iso 0 dist 7.02679 6.13272 3.57128 12.9146 7.30758 9.46442 numMergedOcc 0
48 mol 292 unq 16 iso 0 dist 7.02679 6.13272 3.57128 5.4258 9.10788 9.96037 numMergedOcc 0
49 mol 292 unq 17 iso 0 dist 7.02679 9.08889 9.43063 13.9754 9.9182 8.9221 numMergedOcc 0
50 mol 292 unq 18 iso 0 dist 7.02679 9.08889 9.43063 12.9146 7.30758 14.8054 numMergedOcc 0
51 mol 292 unq 19 iso 0 dist 7.02679 9.08889 9.43063 5.4258 9.10788 8.85064 numMergedOcc 0
52 mol 292 unq 20 iso 0 dist 9.08889 7.02131 10.888 13.9754 8.9221 16.1163 numMergedOcc 0
53 mol 292 unq 21 iso 0 dist 9.08889 7.02131 10.888 5.4258 8.85064 12.0959 numMergedOcc 0
54 mol 292 unq 22 iso 0 dist 9.08889 6.79765 13.253 13.9754 8.9221 17.5894 numMergedOcc 0
55 mol 292 unq 23 iso 0 dist 9.08889 6.79765 13.253 5.4258 8.85064 12.0935 numMergedOcc 0
56 mol 292 unq 24 iso 0 dist 9.08889 6.13272 11.4257 13.9754 8.9221 13.4489 numMergedOcc 0
57 mol 292 unq 25 iso 0 dist 9.08889 6.13272 11.4257 5.4258 8.85064 9.96037 numMergedOcc 0
58 mol 292 unq 26 iso 0 dist 9.08889 7.02679 9.43063 13.9754 8.9221 9.9182 numMergedOcc 0
59 mol 292 unq 27 iso 0 dist 9.08889 7.02679 9.43063 5.4258 8.85064 9.10788 numMergedOcc 0
