0 mol 14 unq 0 iso 0 dist 8.88058 4.15151 6.89209 8.91266 5.49061 6.38364 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.56826 4.04353 6.28033 8.69541 5.40044 4.7319 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.96181 5.78908 6.23095 11.193 10.747 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.96181 5.78908 6.23095 10.8651 11.5983 6.03987 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.73832 4.30874 8.16299 11.6749 10.3774 8.70481 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.85973 4.30874 8.27015 11.6749 12.6626 8.70481 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.08277 9.54341 5.57265 13.2707 5.58109 7.9245 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.86521 6.07331 6.04412 8.93552 5.24229 4.99221 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.72162 7.37554 8.46684 10.4525 5.14332 6.90986 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 9.72162 7.37554 8.46684 10.3221 5.28643 5.39945 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.89093 13.7656 8.88255 10.2589 10.5726 8.73993 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 9.67137 6.06241 6.03557 9.63302 5.14495 8.62381 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.56704 11.3296 9.33945 15.0724 12.3624 8.40312 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 6.19798 5.68063 8.7419 7.27481 5.01062 6.00706 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 6.19798 5.90074 8.5834 7.27481 5.01062 7.54212 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 9.2737 5.45696 9.95045 13.353 12.5761 8.27212 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.05104 14.6577 9.02643 18.5942 12.3948 7.32223 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.05104 14.6577 9.02643 12.2023 8.25257 8.31064 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 9.05104 8.55018 8.68368 12.2023 8.25257 6.73034 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 9.92314 6.87618 5.98967 14.5912 6.64029 8.29103 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.08059 6.11218 8.30175 6.21831 5.55557 9.10818 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 7.76689 6.39319 8.79189 5.30976 6.33662 6.87396 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 7.41473 11.0506 8.79189 11.1221 6.33662 6.87396 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 9.70353 4.7203 8.83775 11.3851 4.66992 8.44326 numMergedOcc 0
