0 mol 38 unq 0 iso 0 dist 5.86972 7.17698 5.31226 7.46414 9.23576 10.7047 8.80956 7.35595 5.66646 7.50293 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 5.86972 7.17698 5.31226 7.46414 9.23576 10.7047 12.4417 8.59794 9.40186 9.91611 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 8.80956 7.35595 4.40004 7.50293 numMergedOcc 0
3 mol 38 unq 3 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 12.4417 8.59794 8.68364 9.91611 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 7.67341 9.03339 4.33522 5.3967 6.7225 8.9498 8.35604 5.39296 5.64974 5.11551 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 7.07421 9.31543 5.04019 4.80675 6.29026 6.69691 10.1938 11.5533 8.26896 8.54584 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 7.07421 8.85652 4.79473 4.80675 6.29026 5.51197 10.1938 11.5533 12.1739 8.54584 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.50126 5.9959 5.30466 15.9524 8.84018 11.4316 12.9713 8.00493 8.95685 6.5107 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 5.59682 9.17216 9.0696 6.62991 8.89982 6.59889 11.2249 13.2491 5.39112 8.56324 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 5.59682 9.44172 9.83062 6.62991 8.89982 8.9192 11.2249 13.2491 4.84714 8.56324 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 7.71277 9.40483 9.0696 7.17016 8.89982 6.59889 13.9298 13.2491 5.39112 8.56324 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 8.94671 8.8774 4.82437 4.85077 7.86625 9.56028 12.503 5.40949 8.82964 9.31746 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 15.4433 9.75313 8.08349 13.3678 6.46679 5.13732 6.61986 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 4.55824 9.75313 8.08349 7.04127 6.46679 5.13732 6.61986 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 9.08719 5.36326 11.4272 4.55824 6.08709 8.08349 7.04127 7.85135 5.13732 6.61986 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.13126 9.67162 4.8226 5.52669 9.10613 8.23087 6.73134 6.0258 4.66414 8.04248 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.57184 6.5311 5.45774 9.76195 6.83152 12.269 15.3066 10.8336 15.8064 6.57393 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 5.57184 6.5311 5.45774 7.01206 5.24313 9.3718 13.8075 12.1448 15.5073 7.31233 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 5.57184 9.67281 12.4194 9.76195 6.83152 13.9551 15.3066 10.8336 20.1157 6.57393 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 5.57184 9.67281 12.4194 7.01206 5.24313 9.12776 13.8075 12.1448 10.3162 7.31233 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.70189 9.6327 8.08023 9.78068 8.58088 15.8864 14.0712 10.221 17.0532 6.60405 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 7.70189 9.6327 8.08023 9.78068 8.58088 15.8864 8.81059 9.22664 13.987 6.42289 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 4.55368 8.40328 7.06301 6.18571 7.93997 5.85442 13.6279 14.8465 10.067 7.46176 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 4.55368 8.2518 7.80863 6.18571 7.93997 6.95511 13.6279 14.8465 11.6988 7.46176 numMergedOcc 0
