0 mol 18 unq 0 iso 0 dist 7.9504 8.59424 8.60149 5.867 8.93025 5.61403 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.45063 8.62288 8.28673 10.7583 7.64235 8.21014 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.45063 8.62288 8.28673 6.24565 6.00623 6.53598 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 8.45063 8.62288 8.28673 5.14132 6.59367 10.9877 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.05728 5.05927 7.38928 6.43732 9.38206 4.17606 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.04543 9.59233 6.79881 6.00428 5.53875 4.94373 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.62107 5.24333 6.79881 6.73587 5.53875 4.94373 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 8.44207 6.9006 6.81741 11.0363 9.46619 5.17028 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.67877 7.25115 7.96689 11.1968 9.17877 13.5727 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.67877 6.02631 4.83134 11.1968 9.17877 5.6216 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 9.8446 9.75412 9.59989 12.6809 8.4082 5.48376 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.20851 14.0871 9.47945 9.38497 7.13078 6.77761 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.7013 14.2738 8.6609 4.65504 7.77669 11.3105 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.7013 8.62822 6.21546 4.65504 7.77669 5.2437 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.7013 7.44933 6.03184 4.65504 7.77669 7.87691 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 7.26376 6.90398 4.67452 6.16486 9.38761 9.78352 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.55805 12.6024 7.35148 10.8658 9.13234 9.3304 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 7.54614 9.97507 7.20862 4.91346 7.45381 6.05562 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.29888 4.34203 5.57184 8.59287 6.40309 6.23871 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.29888 4.34203 5.57184 11.9391 7.87164 10.1372 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 9.91996 4.934 6.76462 17.3639 9.84153 12.9504 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.33791 9.58851 8.61786 6.11645 5.45375 4.75686 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.33791 9.58851 8.61786 5.7716 9.9145 10.8282 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 9.33791 11.5981 8.42706 6.11645 5.45375 10.3992 numMergedOcc 0
24 mol 266 unq 3 iso 0 dist 9.33791 11.5981 8.42706 5.7716 9.9145 15.5784 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 6.70261 6.00582 7.319 4.37398 5.81721 6.98535 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 6.70261 6.17316 6.12742 4.37398 5.81721 5.4527 numMergedOcc 0
27 mol 279 unq 2 iso 0 dist 6.70261 8.96297 9.45886 4.37398 5.81721 5.87196 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 6.04186 11.3134 8.8788 4.37303 5.50284 7.15032 numMergedOcc 0
29 mol 293 unq 1 iso 0 dist 6.04186 11.3134 8.8788 11.0749 8.88355 4.91842 numMergedOcc 0
