0 mol 8 unq 0 iso 0 dist 7.03958 5.7531 7.27018 6.56356 4.1204 8.83742 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.53529 8.79272 7.27018 12.536 4.1204 8.83742 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.18019 7.17012 7.27018 9.01112 4.1204 8.83742 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.44009 6.31881 7.27018 7.62333 4.1204 8.83742 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.41441 11.1124 6.2004 15.4457 6.86136 6.01284 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 16.277 7.31321 9.45579 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.73939 10.2913 6.2004 10.4441 6.86136 6.01284 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.73939 10.2913 6.2004 12.0106 7.31321 9.45579 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 9.53378 5.46116 8.80014 10.7109 4.06745 7.72462 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.80614 10.4524 6.62229 12.8149 5.45005 6.87028 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.7117 7.32662 8.43352 5.10496 3.94967 8.75597 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 4.47349 6.934 8.43352 5.2571 3.94967 8.75597 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.65185 7.17433 8.43352 8.7497 3.94967 8.75597 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.84011 11.177 9.17466 10.2365 4.08391 7.59156 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.11344 4.99056 8.8562 11.2897 12.8661 9.6121 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.11344 4.99056 8.8562 6.99446 5.37917 9.57341 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 6.52773 3.78311 8.8562 12.31 12.8661 9.6121 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 6.52773 3.78311 8.8562 7.64052 5.37917 9.57341 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 9.23858 3.78311 7.91683 12.31 13.3563 9.6121 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 9.23858 3.78311 7.91683 7.64052 15.7711 9.57341 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 6.30546 5.5703 5.94233 11.4624 5.50104 8.66815 numMergedOcc 0
21 mol 126 unq 1 iso 0 dist 6.29233 9.71711 8.56219 11.8923 7.02562 8.66815 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 8.78276 13.4409 9.13191 12.8798 6.39648 8.24966 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 7.88805 9.44878 9.13191 10.4806 6.39648 8.24966 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 7.96646 14.206 9.13191 14.3291 6.39648 8.24966 numMergedOcc 0
25 mol 130 unq 3 iso 0 dist 7.90048 4.28797 9.13191 9.98797 6.39648 8.24966 numMergedOcc 0
26 mol 130 unq 4 iso 0 dist 9.99802 4.28797 6.95405 9.98797 10.3272 8.24966 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 9.90168 9.32969 8.50562 14.4508 10.9311 6.78801 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.69991 13.1292 9.30061 16.7922 16.1483 8.48313 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.69991 13.1292 9.30061 12.4385 11.5269 6.99345 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 7.69991 13.1292 9.30061 11.2896 6.93712 5.11043 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 6.23142 9.4027 9.30061 14.3561 16.1483 8.48313 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 6.23142 9.4027 9.30061 11.0808 11.5269 6.99345 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 6.23142 9.4027 9.30061 9.33094 6.93712 5.11043 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 9.94764 5.12325 9.30061 9.71716 16.1483 8.48313 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 9.94764 5.12325 9.30061 9.1998 11.5269 6.99345 numMergedOcc 0
36 mol 134 unq 8 iso 0 dist 9.94764 5.12325 9.30061 8.69531 6.93712 5.11043 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 6.46461 5.81236 5.06613 6.41689 3.87512 6.09987 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 9.07471 6.42798 9.08955 6.74196 4.67663 7.97027 numMergedOcc 0
39 mol 222 unq 1 iso 0 dist 9.07471 6.42798 9.08955 11.4707 9.32357 6.81955 numMergedOcc 0
40 mol 222 unq 2 iso 0 dist 9.07471 6.42798 9.08955 8.36842 6.37382 4.9876 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 9.33437 11.8906 9.63007 15.415 14.7394 9.07503 numMergedOcc 0
42 mol 284 unq 1 iso 0 dist 9.33437 11.8906 9.63007 17.3359 14.5604 7.63256 numMergedOcc 0
43 mol 284 unq 2 iso 0 dist 7.8343 6.4399 9.63007 12.5394 14.7394 9.07503 numMergedOcc 0
44 mol 284 unq 3 iso 0 dist 7.8343 6.4399 9.63007 13.1224 14.5604 7.63256 numMergedOcc 0
