0 mol 52 unq 0 iso 0 dist 8.62361 11.5456 7.34143 16.1981 9.162 9.80098 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.3906 7.8601 7.71095 11.8826 12.5396 8.84665 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.3906 7.8601 7.71095 7.41568 8.19458 8.25513 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 7.41568 7.8601 8.25513 8.3906 8.19458 7.71095 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 7.41568 7.8601 8.25513 11.8826 6.40295 8.84665 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.9925 6.79221 8.70481 16.1489 14.9342 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.9925 6.79221 8.70481 12.8863 13.3558 6.19304 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.47483 6.48294 9.01083 5.73169 5.53837 7.2658 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 5.73169 6.48294 7.2658 6.47483 5.53837 9.01083 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.11094 6.59988 5.08437 7.21175 9.51923 6.48948 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.11094 6.59988 5.08437 12.4186 8.40073 6.10456 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 7.21175 6.59988 6.48948 7.11094 9.51923 5.08437 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 7.21175 6.59988 6.48948 12.4186 9.42358 6.10456 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 6.83313 4.97123 8.14887 4.84594 7.30196 9.30299 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 4.84594 4.97123 9.30299 6.83313 7.30196 8.14887 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.47457 9.36947 8.22656 10.1773 6.65743 7.24514 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.16238 8.65428 5.6234 13.2472 6.2715 9.0018 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.16238 8.65428 5.6234 12.3449 5.35493 6.57069 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 8.16238 14.5429 9.92231 13.2472 6.2715 7.652 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 9.88039 12.7327 9.0018 10.6204 7.42466 7.652 numMergedOcc 0
20 mol 175 unq 4 iso 0 dist 9.88039 12.0917 5.6234 10.6204 7.42466 9.92231 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.26029 12.3287 5.78342 19.0236 11.5372 8.95269 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.26029 12.3287 5.78342 14.9673 8.49799 6.57273 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 8.26029 13.3966 9.16166 14.0385 11.328 6.65832 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 8.26029 13.3966 9.16166 14.9673 8.49799 6.60589 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 7.62761 8.12266 6.24356 16.5628 10.3202 9.361 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.54195 6.22293 6.92774 6.35853 7.03728 9.01049 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 9.54195 6.22293 6.92774 7.67515 8.55278 9.2983 numMergedOcc 0
28 mol 273 unq 2 iso 0 dist 6.35853 6.22293 9.01049 9.54195 7.03728 6.92774 numMergedOcc 0
29 mol 273 unq 3 iso 0 dist 6.35853 6.22293 9.01049 7.67515 8.05475 9.2983 numMergedOcc 0
30 mol 273 unq 4 iso 0 dist 7.67515 6.22293 9.2983 9.54195 8.55278 6.92774 numMergedOcc 0
31 mol 273 unq 5 iso 0 dist 7.67515 6.22293 9.2983 6.35853 8.05475 9.01049 numMergedOcc 0
