0 mol 7 unq 0 iso 0 dist 8.19144 5.77391 7.31201 13.0994 6.57017 9.36807 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.84459 10.3415 7.31201 13.3511 6.57017 9.36807 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.76145 10.1412 7.92394 13.945 4.25121 9.93423 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.76145 10.1412 7.92394 19.0981 13.6636 9.34122 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.35595 6.71804 8.97793 6.22513 5.67347 8.19682 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 6.22513 6.71804 8.19682 8.35595 5.67347 8.97793 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.87582 7.12329 6.99777 12.696 11.889 9.14376 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.77794 5.19652 6.99777 13.7249 11.889 9.14376 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.16039 10.6181 7.66168 12.257 6.09983 9.12581 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 6.16039 9.86628 6.89257 12.257 6.09983 8.74308 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.30874 5.114 6.94688 5.54873 5.3528 6.71012 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 5.54873 5.114 6.71012 9.30874 5.3528 6.94688 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.7281 7.07865 7.37327 13.3613 6.46849 7.98142 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 9.61621 7.67708 6.15769 10.2287 7.46053 5.48258 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 7.53384 5.97098 6.0965 11.2924 6.04429 9.59129 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 9.347 7.02346 4.26212 13.3476 4.8814 6.68292 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.57161 9.20027 6.99002 15.4657 11.5311 6.84247 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.97425 11.8217 7.06793 10.7344 6.88258 6.67585 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.39753 11.9904 7.06793 12.5544 6.88258 6.67585 numMergedOcc 0
19 mol 228 unq 0 iso 0 dist 7.39392 12.4165 9.42615 15.0084 8.57673 8.06181 numMergedOcc 0
20 mol 228 unq 1 iso 0 dist 8.04854 11.6016 8.06181 16.3908 8.57673 9.42615 numMergedOcc 0
21 mol 228 unq 2 iso 0 dist 7.56863 12.0882 9.06121 14.7152 8.22089 7.77367 numMergedOcc 0
22 mol 228 unq 3 iso 0 dist 8.08612 11.6723 7.77367 16.1424 8.22089 9.06121 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.90344 12.9109 8.14172 11.5829 10.9258 8.09066 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.90344 12.3128 6.77463 11.5829 10.9258 7.2766 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.83326 9.55101 8.09066 15.714 10.9258 8.14172 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 9.83326 13.5175 7.2766 15.714 10.9258 6.77463 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 6.19514 5.59848 8.09066 12.5166 10.9258 8.14172 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 6.19514 7.17967 7.2766 12.5166 10.9258 6.77463 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.5166 9.78463 7.39747 11.48 4.89061 8.1777 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.88151 13.3233 6.77938 10.3054 6.1415 7.76676 numMergedOcc 0
