0 mol 4 unq 0 iso 0 dist 7.06429 8.24634 7.14866 6.29581 7.22113 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.06429 9.16617 5.50517 6.29581 7.22113 6.42755 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.81066 9.68596 14.3521 5.03847 11.5208 6.14469 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.80484 8.64915 12.643 4.98827 11.0495 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.80484 8.17347 11.2964 4.98827 11.0495 9.93542 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 6.50337 7.75618 5.46754 4.97119 10.0577 9.95212 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.10339 8.40416 8.6996 4.64838 9.75246 9.95212 numMergedOcc 0
7 mol 20 unq 0 iso 0 dist 7.16149 7.51452 3.61632 10.0815 9.39331 5.86181 numMergedOcc 0
8 mol 20 unq 1 iso 0 dist 7.16149 7.51452 3.61632 13.457 6.86736 6.3253 numMergedOcc 0
9 mol 20 unq 2 iso 0 dist 7.16149 7.51452 3.61632 11.3821 8.17383 5.80568 numMergedOcc 0
10 mol 20 unq 3 iso 0 dist 9.4228 6.09764 7.3057 8.96335 8.67928 4.74809 numMergedOcc 0
11 mol 20 unq 4 iso 0 dist 9.4228 6.09764 7.3057 6.05944 13.8782 7.43882 numMergedOcc 0
12 mol 20 unq 5 iso 0 dist 9.4228 6.09764 7.3057 7.46656 12.1216 7.31198 numMergedOcc 0
13 mol 20 unq 6 iso 0 dist 9.4228 9.20198 13.0142 8.96335 8.67928 5.86181 numMergedOcc 0
14 mol 20 unq 7 iso 0 dist 9.4228 9.20198 13.0142 6.05944 13.8782 6.3253 numMergedOcc 0
15 mol 20 unq 8 iso 0 dist 9.4228 9.20198 13.0142 7.46656 12.1216 5.80568 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 6.07553 8.60554 11.3314 14.012 14.465 6.72323 numMergedOcc 0
17 mol 24 unq 1 iso 0 dist 8.80127 8.4051 3.4435 12.176 10.0903 6.72323 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 6.48457 8.60554 3.4435 14.012 10.0903 6.72323 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 8.77199 9.82915 4.58085 10.4987 10.7986 9.66222 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 7.98814 7.10378 5.53567 8.4128 10.215 9.5057 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 7.98814 7.10378 5.53567 7.96533 9.37296 5.75014 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 7.69401 7.80975 8.86956 5.42531 12.8962 9.5057 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 7.69401 7.80975 8.86956 4.86592 9.97663 5.75014 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 6.92671 7.80975 11.7384 5.42531 8.4705 9.5057 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 6.92671 7.80975 11.7384 4.86592 11.0026 5.75014 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.94552 8.8822 13.1665 7.27193 13.1672 6.6317 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 8.75049 5.87634 5.21958 14.8102 8.966 8.95662 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 6.11835 6.86319 3.68546 10.645 9.37223 7.21349 numMergedOcc 0
29 mol 196 unq 1 iso 0 dist 9.93668 6.86319 6.56216 10.645 10.809 7.21349 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 9.91497 6.71375 13.9004 10.0732 19.9372 8.984 numMergedOcc 0
31 mol 265 unq 1 iso 0 dist 8.2179 6.71375 10.3547 10.0732 15.4092 8.984 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.98154 9.85289 10.4158 5.29529 9.71673 6.88827 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.29241 6.89451 5.41757 7.83813 8.88015 6.95912 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.29241 6.89451 5.41757 7.83813 8.88015 6.95912 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 9.29241 6.89451 5.41757 7.83813 8.88015 6.95912 numMergedOcc 0
