0 mol 51 unq 0 iso 0 dist 8.98887 6.67213 5.51811 5.49911 13.1325 9.37125 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 8.32077 6.31237 10.4772 5.0128 13.155 8.96022 numMergedOcc 0
2 mol 94 unq 1 iso 0 dist 8.32077 6.31237 10.4772 11.42 18.4805 8.75181 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.96575 8.07365 8.88286 15.5913 16.2534 9.02255 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.96575 8.07365 8.88286 11.9794 16.6551 7.89797 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 8.59592 8.07365 9.02184 15.5913 17.9424 9.02255 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 8.59592 8.07365 9.02184 11.9794 14.264 7.89797 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 12.0163 11.0675 5.8729 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.47548 8.60857 9.60374 10.4064 17.3789 9.35711 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.63311 6.37528 6.31152 6.19811 9.25746 5.05103 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.0631 6.37528 5.56084 6.19811 8.83712 5.05103 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 8.90273 6.37528 6.98664 6.19811 6.60885 5.05103 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 3.84472 9.40268 6.70271 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.34402 9.00172 11.8155 3.84472 9.40268 6.2109 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.07957 8.95433 6.80292 14.5262 9.40268 6.70271 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 8.2419 6.03738 5.45786 7.07946 7.40128 8.61375 numMergedOcc 0
16 mol 231 unq 0 iso 0 dist 6.00509 6.02527 5.3251 8.02725 10.1671 6.52115 numMergedOcc 0
17 mol 231 unq 1 iso 0 dist 6.00509 6.02527 5.3251 6.48256 10.9055 9.88437 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.04513 8.49415 13.1882 10.0348 12.8817 7.27446 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.55696 9.61741 9.08196 5.03854 10.709 7.67993 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.55696 5.61056 6.4179 5.03854 10.709 8.03669 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 7.45814 9.61741 16.5582 5.03854 10.5415 7.67993 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 7.45814 5.61056 11.8299 5.03854 10.5415 8.03669 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 5.7099 9.91518 9.40662 5.73846 9.81682 8.8437 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 8.5942 8.33653 8.39941 16.8132 16.7733 9.25455 numMergedOcc 0
