0 mol 28 unq 0 iso 0 dist 8.43134 10.355 8.24316 8.76563 6.75443 6.94749 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.43134 10.355 8.24316 15.1628 9.02508 7.04268 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.43134 10.355 8.24316 13.148 8.44081 6.5776 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.64864 11.54 8.49449 5.75907 9.49156 12.494 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 4.74307 5.36545 8.49449 7.61589 9.49156 12.494 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.62176 5.24476 6.57773 4.6483 8.1123 9.57875 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.9898 7.11066 7.3729 4.9015 7.4348 9.81267 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.4104 4.73835 7.33617 7.39545 9.83003 11.552 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.84518 9.73877 8.97036 8.35617 6.13054 11.9058 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.97162 6.78172 7.17789 8.48271 6.03801 9.36417 numMergedOcc 0
10 mol 228 unq 0 iso 0 dist 7.4244 10.0549 9.21065 5.91773 9.87391 14.1268 numMergedOcc 0
11 mol 228 unq 1 iso 0 dist 7.4244 10.0549 9.21065 12.1514 9.72673 6.31197 numMergedOcc 0
12 mol 228 unq 2 iso 0 dist 7.40089 5.67892 9.23333 4.06247 9.94292 6.25558 numMergedOcc 0
13 mol 228 unq 3 iso 0 dist 7.40089 5.67892 9.23333 9.94066 9.53671 13.9405 numMergedOcc 0
14 mol 228 unq 4 iso 0 dist 8.21976 5.67892 7.24491 4.06247 8.5499 6.25558 numMergedOcc 0
15 mol 228 unq 5 iso 0 dist 7.19441 9.76534 9.23333 12.1987 9.94292 6.25558 numMergedOcc 0
16 mol 228 unq 6 iso 0 dist 7.19441 9.76534 9.23333 6.03337 9.53671 13.9405 numMergedOcc 0
17 mol 228 unq 7 iso 0 dist 7.21082 5.95601 9.21065 9.54164 9.87391 14.1268 numMergedOcc 0
18 mol 228 unq 8 iso 0 dist 7.21082 5.95601 9.21065 4.36704 9.72673 6.31197 numMergedOcc 0
19 mol 228 unq 9 iso 0 dist 8.81908 5.95601 7.65917 4.36704 8.6813 6.31197 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 6.09111 6.13888 8.41604 6.50733 9.23318 11.6792 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 6.67008 10.9694 7.90629 5.22029 7.88092 7.94329 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.79534 11.231 7.15278 16.7838 9.83069 9.503 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 6.78706 6.66087 7.15278 5.23252 9.83069 9.503 numMergedOcc 0
