0 mol 54 unq 0 iso 0 dist 7.62814 4.76618 9.24708 10.9482 6.91496 9.20429 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.18651 13.3969 6.42443 14.5442 5.5517 5.41831 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 4.45433 5.42987 7.50229 8.53393 4.85618 9.95767 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 4.45433 5.42987 7.50229 5.57265 3.68023 5.68286 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.60619 5.46484 6.64921 6.09906 3.83059 8.0139 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.2753 6.92136 8.00314 11.2447 8.37717 9.67557 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 6.54699 8.01024 7.33426 8.97911 6.2696 8.65215 numMergedOcc 0
7 mol 101 unq 1 iso 0 dist 6.54699 8.01024 7.33426 14.2649 10.1773 9.65097 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 6.63808 10.8491 8.18584 15.6981 11.2692 9.82728 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 8.23311 5.12312 8.76245 10.0504 10.3287 6.36439 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 6.1247 9.3097 8.76245 10.0704 10.3287 6.36439 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 5.78626 13.1628 9.98554 22.4865 18.84 9.99005 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 4.68068 5.9798 9.04564 8.59098 6.05019 8.9053 numMergedOcc 0
13 mol 158 unq 2 iso 0 dist 9.8417 8.64986 9.98554 15.1231 18.84 9.99005 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 7.667 7.66859 5.80055 15.9241 11.8148 8.41715 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 7.667 7.66859 5.80055 14.5837 10.612 7.79893 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.93017 11.4926 8.65769 14.7629 10.0225 7.73971 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 5.8294 7.8719 8.98633 11.513 12.2033 9.44947 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.29322 13.9377 5.4687 15.2096 6.79067 7.78671 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 5.57978 10.2996 6.90511 8.44862 4.02333 8.23381 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 7.7096 4.85294 6.04835 8.57445 5.46481 6.45326 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.57637 10.154 5.55176 16.5454 12.3128 8.19169 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 9.57637 10.154 5.55176 13.1539 3.65199 7.7743 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 9.57637 10.154 5.55176 13.7103 5.70614 8.71506 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.57637 10.154 5.55176 16.5454 12.3128 8.19169 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 9.57637 10.154 5.55176 13.1539 3.65199 7.7743 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 9.57637 10.154 5.55176 13.7103 5.70614 8.71506 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.57637 10.154 5.55176 16.5454 12.3128 8.19169 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 9.57637 10.154 5.55176 13.1539 3.65199 7.7743 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 9.57637 10.154 5.55176 13.7103 5.70614 8.71506 numMergedOcc 0
