0 mol 9 unq 0 iso 0 dist 6.8848 8.18219 5.71201 10.8227 4.94281 4.74921 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.1113 4.87491 7.46208 9.84767 3.73148 8.43581 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.85254 9.997 7.40415 13.9788 10.4406 8.75468 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 6.85254 9.997 7.40415 15.6793 12.0524 7.62989 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 6.85254 9.997 7.40415 14.787 10.0581 5.70238 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.50475 10.8275 7.59316 15.2992 8.98812 5.54554 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.50475 10.8275 7.59316 9.55284 3.50984 6.84514 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.50475 10.8275 7.59316 18.1488 12.69 8.95402 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.66163 11.4765 7.59316 15.1057 8.98812 5.54554 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 7.66163 11.4765 7.59316 7.36877 3.50984 6.84514 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 7.66163 11.4765 7.59316 16.4502 12.69 8.95402 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 9.48288 15.0853 7.59316 18.2327 8.98812 5.54554 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 9.48288 15.0853 7.59316 10.9073 3.50984 6.84514 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 9.48288 15.0853 7.59316 20.8535 12.69 8.95402 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.1796 11.309 7.51285 14.7535 9.01489 5.5232 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.1796 11.309 7.51285 6.89752 3.65036 7.05619 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 9.16212 15.0743 7.51285 18.0487 9.01489 5.5232 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 9.16212 15.0743 7.51285 10.6705 3.65036 7.05619 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 6.65867 7.76481 4.65127 10.657 3.99942 6.46718 numMergedOcc 0
19 mol 105 unq 0 iso 0 dist 6.09256 10.7812 7.09806 15.6282 9.73765 9.09664 numMergedOcc 0
20 mol 105 unq 1 iso 0 dist 8.40598 6.50376 7.09806 10.9758 9.73765 9.09664 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.55826 4.43177 7.42482 9.35759 3.67473 6.4569 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.75061 6.32847 5.39061 7.34765 4.94367 4.48699 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.81111 4.88633 6.73983 11.44 3.80763 8.88454 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 8.81111 9.46307 8.6387 11.44 3.80763 9.48581 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 5.66405 4.88633 7.64956 11.44 9.98068 8.88454 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 6.5739 9.79606 8.57005 14.5834 8.7961 9.56342 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.58212 9.8972 5.45675 10.8415 5.39534 8.46395 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 8.64079 7.48645 7.97418 16.5412 11.5669 9.90699 numMergedOcc 0
29 mol 209 unq 1 iso 0 dist 8.76128 3.88024 7.97418 11.2196 11.5669 9.90699 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.46558 10.3592 6.07878 12.6912 4.50383 8.96803 numMergedOcc 0
31 mol 237 unq 1 iso 0 dist 9.46558 10.3592 6.07878 12.2309 11.9967 7.95072 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 9.74449 12.6516 9.66027 12.4005 3.70808 8.72093 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.35976 14.2523 7.85414 14.9391 12.1127 8.78893 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 6.48476 5.51727 8.55729 12.5617 12.473 8.17846 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 7.85295 6.47044 8.67489 15.8927 17.93 9.9322 numMergedOcc 0
