0 mol 8 unq 0 iso 0 dist 8.39908 11.2594 8.68949 19.1521 13.2274 8.89145 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.39908 11.2594 8.68949 13.2172 8.33226 6.92865 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.38298 5.57445 7.34681 9.55169 13.5023 6.53817 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 9.38298 5.57445 7.34681 14.187 15.703 9.81769 numMergedOcc 0
4 mol 17 unq 2 iso 0 dist 5.84559 6.18212 7.34681 12.4466 13.5023 6.53817 numMergedOcc 0
5 mol 17 unq 3 iso 0 dist 5.84559 6.18212 7.34681 15.4427 15.703 9.81769 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.83305 4.44575 8.75001 10.0157 5.18509 7.78708 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 9.83305 4.44575 8.75001 10.9975 12.48 7.84393 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.64058 9.87265 7.32913 14.5057 4.92159 9.58938 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 8.78393 8.77769 7.43409 7.59663 3.73188 8.04926 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 8.99619 6.57493 7.43409 11.4647 3.73188 8.04926 numMergedOcc 0
11 mol 67 unq 0 iso 0 dist 7.72671 5.72979 5.80736 13.9348 11.8891 8.64208 numMergedOcc 0
12 mol 67 unq 1 iso 0 dist 7.72671 5.72979 5.80736 12.4724 6.3173 7.9572 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.49371 15.7787 7.48127 19.6435 10.6009 4.83274 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 5.05941 7.90785 7.48127 12.342 10.6009 4.83274 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 9.66942 10.5881 7.48127 15.4005 10.6009 4.83274 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 6.35449 4.14823 5.40826 11.3052 9.02772 7.5984 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 5.13315 6.63708 4.44987 7.665 4.81264 7.15418 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 9.04832 6.13767 6.25798 13.8888 6.97243 8.4931 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.39237 14.8436 6.72718 9.73745 5.25279 6.99623 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 8.48834 10.3667 6.36102 12.3671 4.06334 7.3529 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.34367 9.4788 9.24729 13.8592 12.2372 8.33847 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.95552 7.51285 8.57274 10.0624 5.80854 8.55181 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 9.64956 9.45852 8.70193 12.6821 4.51422 7.9357 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 9.64956 9.45852 8.70193 10.3775 4.99997 5.79537 numMergedOcc 0
25 mol 258 unq 3 iso 0 dist 9.64956 5.99858 7.25618 11.4583 15.0574 9.67877 numMergedOcc 0
26 mol 258 unq 4 iso 0 dist 9.64956 5.99858 7.25618 12.6821 4.51422 8.81059 numMergedOcc 0
27 mol 258 unq 5 iso 0 dist 9.64956 5.99858 7.25618 10.3775 4.99997 9.12006 numMergedOcc 0
