0 mol 34 unq 0 iso 0 dist 6.85305 8.58962 8.04976 6.71226 6.87871 6.40741 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.89021 8.3768 10.9261 14.4661 9.02288 18.9888 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.89021 8.3768 10.9261 18.6603 9.58544 20.3621 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.89021 8.13535 14.3261 14.4661 9.02288 21.4305 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.89021 8.13535 14.3261 18.6603 9.58544 23.911 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.49623 9.22889 6.54837 6.36131 8.0614 14.1519 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.8014 8.59105 5.95671 7.58056 8.50159 13.4955 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.30103 7.31426 8.51055 7.30364 7.84888 7.2131 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.20865 7.98039 10.4027 5.46236 8.25817 4.96613 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 7.48277 9.2062 10.6281 5.51997 9.43411 11.9963 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 9.0361 9.2062 4.48396 11.7098 9.01767 12.9233 numMergedOcc 0
11 mol 102 unq 2 iso 0 dist 9.0361 9.2062 4.48396 5.51997 9.80678 11.9963 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.4371 9.13614 7.20706 5.74375 6.31633 9.10677 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 5.44596 6.58859 8.5945 8.91817 9.93572 15.4872 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.89142 9.31025 4.20425 9.75316 9.82249 8.62413 numMergedOcc 0
15 mol 174 unq 0 iso 0 dist 4.93781 9.31454 10.3406 5.07406 8.76218 10.5466 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 11.3267 8.69888 15.8107 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 6.6776 8.79832 8.29015 4.44885 5.08206 11.0322 numMergedOcc 0
18 mol 185 unq 0 iso 0 dist 9.03315 6.68054 8.51873 4.81985 8.04591 8.56136 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 7.63268 9.26919 6.38128 4.54544 6.02561 10.4724 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 15.8912 7.31105 12.6669 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.095 9.62583 6.00069 11.1791 9.18675 14.3298 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 8.33847 8.85051 5.0515 11.47 8.49299 13.3945 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 5.07076 7.7993 11.2785 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 8.53729 9.29788 5.78064 11.9553 6.10761 11.2304 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 8.07341 9.50983 5.78064 7.67871 7.7993 11.2785 numMergedOcc 0
26 mol 253 unq 3 iso 0 dist 8.07341 9.50983 5.78064 12.5746 6.10761 11.2304 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.54753 9.57659 10.199 4.62586 8.90885 11.3754 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.54753 7.8424 5.81246 4.62586 8.90885 11.0319 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 5.72978 8.13489 10.9069 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 6.86342 6.76508 5.69992 5.36467 8.10742 10.7266 numMergedOcc 0
