0 mol 64 unq 0 iso 0 dist 9.82294 8.99491 5.9853 14.2658 7.11238 11.4345 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.33989 9.71952 8.73236 6.69911 6.55112 8.13108 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 8.57953 7.28257 8.73236 3.94216 6.55112 8.13108 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.81553 5.17585 4.87668 3.82552 6.6536 4.22363 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.73946 5.02717 4.75197 5.33827 7.84768 7.69765 numMergedOcc 0
5 mol 157 unq 0 iso 0 dist 8.78412 6.1835 6.91388 12.5289 6.07906 12.5116 numMergedOcc 0
6 mol 157 unq 1 iso 0 dist 8.78412 6.1835 6.91388 11.4935 8.72717 13.9545 numMergedOcc 0
7 mol 159 unq 0 iso 0 dist 7.52779 4.91784 7.18851 7.44399 9.45909 11.6709 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 6.09291 9.46833 6.21354 6.22697 7.06772 12.9994 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 5.13534 7.41378 4.62576 4.76079 5.97971 5.05973 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.47833 6.752 5.58339 6.10058 7.53734 8.95122 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 5.05912 6.752 4.37383 6.10058 9.79826 8.95122 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 5.47586 8.10287 7.78052 3.50446 7.53734 8.4844 numMergedOcc 0
13 mol 205 unq 3 iso 0 dist 5.47586 5.4913 5.58339 3.50446 7.53734 8.95122 numMergedOcc 0
14 mol 205 unq 4 iso 0 dist 6.60429 8.10287 13.0749 3.50446 9.79826 8.4844 numMergedOcc 0
15 mol 205 unq 5 iso 0 dist 6.60429 5.4913 4.37383 3.50446 9.79826 8.95122 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 4.87053 7.85877 9.84386 4.91709 7.99441 5.56538 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 4.87053 7.85877 9.84386 5.96186 6.71817 7.48954 numMergedOcc 0
18 mol 222 unq 2 iso 0 dist 4.87053 7.85877 9.84386 9.55743 8.41524 12.0028 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.83514 9.66555 10.3683 3.68226 5.52788 8.69015 numMergedOcc 0
