0 mol 30 unq 0 iso 0 dist 7.2159 8.51496 11.8568 6.57228 9.77521 13.2284 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.21423 9.45566 6.30672 9.23503 9.53901 15.7104 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55031 9.50444 9.9271 11.9729 8.16059 17.5541 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 8.48766 9.97781 5.18016 11.8236 7.78306 12.0697 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 9.82453 9.39566 6.32505 10.5469 7.58484 12.4357 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 8.79452 9.39566 9.96318 7.94102 7.59313 14.0053 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.30128 6.09626 4.6963 10.8208 9.17909 13.3036 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 6.30128 6.09626 4.6963 4.59061 9.37708 7.03339 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.39253 8.4733 13.7956 7.49885 7.26463 15.3387 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.31907 7.31633 10.1546 10.3667 6.89564 14.7565 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.49104 5.49198 5.45341 12.0027 9.21999 11.45 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.49104 8.7311 10.2702 12.0027 9.21999 17.6605 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.13872 5.66363 9.21613 7.56512 8.03259 9.99409 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 4.96259 6.95568 5.87168 6.6215 5.77393 9.8283 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 8.10096 7.04477 7.93097 12.8829 9.05082 6.82883 numMergedOcc 0
15 mol 270 unq 0 iso 0 dist 6.72681 8.50042 4.53766 9.8347 7.65449 11.5804 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 8.26851 9.11072 16.1916 8.77987 7.24089 13.3938 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.26851 9.11072 16.1916 10.518 9.29005 12.6353 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 8.26851 6.83113 10.6481 8.77987 7.24089 13.9072 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 8.26851 6.83113 10.6481 10.518 9.29005 12.12 numMergedOcc 0
20 mol 274 unq 4 iso 0 dist 8.26851 9.44134 16.3797 8.77987 7.24089 17.9721 numMergedOcc 0
21 mol 274 unq 5 iso 0 dist 8.26851 9.44134 16.3797 10.518 9.29005 17.2214 numMergedOcc 0
22 mol 274 unq 6 iso 0 dist 8.14634 9.11072 14.7933 10.518 8.16746 12.6353 numMergedOcc 0
23 mol 274 unq 7 iso 0 dist 8.14634 6.83113 7.09841 10.518 8.16746 12.12 numMergedOcc 0
24 mol 274 unq 8 iso 0 dist 8.14634 9.44134 13.8495 10.518 8.16746 17.2214 numMergedOcc 0
