0 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 14.2744 9.17082 4.24786 7.25076 5.27979 7.15034 10.1434 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 15.4219 9.66222 10.4987 10.8177 8.04853 11.9949 11.3242 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 15.4219 9.66222 10.4987 3.88626 6.46549 13.3089 15.4245 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 11.3708 7.14031 11.3905 11.2684 7.54574 9.53244 10.256 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 11.3708 7.14031 14.2646 11.2684 7.54574 9.91282 10.256 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 11.3708 7.14031 4.67519 11.2684 7.54574 6.54016 10.256 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 4.94406 7.53156 7.5242 11.3708 7.14031 10.4027 11.2684 7.54574 11.2206 10.256 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 7.43547 7.14031 11.3905 4.05759 7.54574 9.53244 10.256 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 7.43547 7.14031 14.2646 4.05759 7.54574 9.91282 10.256 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 7.2337 5.39087 5.59328 7.43547 7.14031 4.67519 4.05759 7.54574 6.54016 10.256 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 7.2337 12.2431 7.5242 7.43547 7.14031 10.4027 4.05759 7.54574 11.2206 10.256 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 4.68204 9.73158 10.7293 5.98101 8.98175 10.3933 9.06432 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 9.09658 7.59327 7.29399 5.98101 8.98175 10.3933 11.2951 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 7.20376 9.10042 9.74444 6.685 9.38036 6.45283 3.89483 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.35864 10.4653 9.97343 10.1764 9.75059 6.91919 6.685 9.38036 6.45283 4.1436 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 8.35864 10.4653 9.97343 14.3045 6.83404 10.1432 6.685 9.38036 6.45283 12.6017 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 8.35864 15.1845 9.70413 7.20376 9.10042 10.3716 6.685 9.38036 11.3136 3.89483 numMergedOcc 0
17 mol 141 unq 4 iso 0 dist 8.35864 15.1845 9.70413 10.1764 9.75059 7.87881 6.685 9.38036 11.3136 4.1436 numMergedOcc 0
18 mol 141 unq 5 iso 0 dist 8.35864 15.1845 9.70413 14.3045 6.83404 7.27731 6.685 9.38036 11.3136 12.6017 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 8.3459 7.21349 4.54749 5.55109 6.14222 5.93821 5.7225 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 9.47404 14.9157 6.86319 8.3459 7.21349 10.645 5.55109 6.14222 12.4987 5.7225 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 11.1737 6.94789 5.5163 13.1753 7.26232 4.67058 3.66752 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 11.1737 6.94789 7.77516 13.1753 7.26232 10.28 3.66752 numMergedOcc 0
23 mol 235 unq 2 iso 0 dist 6.86251 7.00293 9.21736 11.1737 6.94789 11.7254 13.1753 7.26232 13.783 3.66752 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 5.62039 7.42147 9.20822 8.50643 8.10254 10.6582 6.41985 8.95332 7.00249 5.18809 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 4.30062 5.9627 9.0676 10.5184 8.76518 10.3504 11.2713 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 4.68783 9.54906 7.25858 4.30062 5.9627 6.56117 10.5184 8.76518 10.9925 11.2713 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 14.7933 6.88827 6.20558 9.90818 8.09181 12.5154 8.87313 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.02661 17.306 8.52587 7.09841 9.16942 16.3619 9.90818 8.09181 12.5154 6.97575 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.02661 10.2307 6.39866 14.7933 6.88827 6.16703 9.90818 8.09181 4.60007 8.87313 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 9.02661 10.2307 6.39866 7.09841 9.16942 5.64601 9.90818 8.09181 4.60007 6.97575 numMergedOcc 0
