0 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 8.37063 6.00386 6.44408 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.44958 11.3605 5.78148 9.76679 6.00386 6.44408 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 9.81087 6.06832 6.23095 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 10.7464 6.81213 7.51406 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 12.0992 6.81213 7.51406 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.28282 4.57694 4.79949 6.40355 8.88275 5.56964 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.13391 6.0968 6.98934 12.38 8.79034 7.85527 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 13.973 11.8905 9.33945 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 17.3934 9.78249 7.47975 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 7.31388 3.84723 5.37446 10.7258 3.99796 8.71409 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 18.3397 11.2986 9.60159 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 8.81373 6.06308 8.67805 10.317 5.71442 8.7017 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 8.81373 6.06308 8.67805 14.1503 8.88857 9.51583 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 24.047 17.2138 9.68888 numMergedOcc 0
14 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 13.0485 8.51564 7.54763 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.15795 12.227 9.53063 14.6052 7.43645 8.9706 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.78354 11.716 7.99477 19.1058 12.2193 8.21585 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 8.28871 13.8765 6.14323 13.4154 5.86656 6.8902 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 7.94668 6.12009 6.14323 11.8791 5.86656 6.8902 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 8.60979 9.38679 9.19033 15.7864 11.4436 7.31993 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.89698 16.8679 7.52109 12.4054 6.35113 6.36173 numMergedOcc 0
