0 mol 7 unq 0 iso 0 dist 8.41585 6.28925 10.6847 6.81066 10.6 9.23292 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.82505 8.63502 8.20465 7.88714 4.13564 7.8102 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 7.97324 6.63929 6.50337 7.16903 8.58416 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 7.97324 8.33878 6.50337 10.2774 8.58416 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.864 7.97324 11.8689 6.50337 10.3465 8.58416 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 8.41018 15.2053 8.91875 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.8178 8.96978 8.39969 4.69674 5.83438 9.32838 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.96708 8.96978 4.45372 4.69674 11.8198 9.32838 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.70481 6.43377 7.9151 5.62694 10.169 9.44809 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 7.69401 9.15224 7.7565 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 6.92671 6.92828 7.03319 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 7.17106 8.20656 8.07089 7.98814 8.07597 4.49046 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 8.14887 5.72373 10.2773 8.82676 6.3084 12.7297 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 9.30299 5.72373 10.7123 8.82676 12.4721 12.7297 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 7.7059 7.19937 10.8443 5.36351 6.6218 7.63514 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.17202 7.12045 6.39077 6.55543 4.43082 5.14478 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.03031 6.52987 4.92241 7.23959 9.73907 12.8648 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 7.26832 6.52987 7.36565 7.23959 12.3578 12.8648 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 7.80463 6.52987 10.9417 7.23959 6.06996 12.8648 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 9.73419 8.77621 14.8651 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 7.7366 5.52084 9.81596 9.99824 10.2691 10.2897 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.41436 7.27632 10.6728 9.18589 10.3659 7.13065 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 8.92474 7.27632 5.3919 9.18589 10.4355 7.13065 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 8.98154 8.93097 6.14786 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 7.56915 6.93875 8.83823 8.98154 8.93097 10.2165 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 7.56915 6.0868 9.51441 8.98154 8.93097 13.692 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 7.56915 6.32856 11.5556 8.98154 8.93097 15.2936 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 8.49997 6.92434 8.58007 8.98154 6.55065 6.14786 numMergedOcc 0
28 mol 274 unq 5 iso 0 dist 8.49997 6.93875 5.66046 8.98154 6.55065 10.2165 numMergedOcc 0
29 mol 274 unq 6 iso 0 dist 8.49997 6.0868 10.1323 8.98154 6.55065 13.692 numMergedOcc 0
30 mol 274 unq 7 iso 0 dist 8.49997 6.32856 13.5073 8.98154 6.55065 15.2936 numMergedOcc 0
