0 mol 8 unq 0 iso 0 dist 4.92734 6.26138 6.31827 7.0822 8.33604 12.8095 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 6.57999 8.4069 7.0822 8.33604 13.3876 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 13.1473 6.77912 15.4914 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.7212 9.08821 5.82403 5.00053 7.321 12.0769 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.10011 8.124 5.7113 10.0721 5.64598 4.65521 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.124 6.10011 5.7113 10.0721 4.65521 5.64598 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.41567 5.56964 10.2879 7.5192 6.21982 8.19682 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 5.56964 8.41567 10.2879 11.2136 8.97793 11.062 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 5.56964 8.41567 10.2879 7.5192 8.19682 6.21982 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.70279 8.96916 5.33144 11.8754 7.75343 11.8016 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.84523 9.45397 4.98336 5.38332 5.87358 9.20981 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.45397 8.84523 4.98336 5.38332 9.20981 5.87358 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.27598 5.57904 5.00817 7.26771 5.42582 8.6355 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 5.57904 7.27598 5.00817 7.26771 8.6355 5.42582 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 7.83582 9.89896 13.6872 14.4791 8.19104 20.519 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 7.83582 9.68229 9.35646 14.4791 8.19104 17.3096 numMergedOcc 0
16 mol 140 unq 2 iso 0 dist 9.68229 7.83582 9.35646 5.35291 6.95323 9.83617 numMergedOcc 0
17 mol 140 unq 3 iso 0 dist 9.68229 9.89896 9.66601 5.35291 6.95323 10.3891 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 7.34465 9.47675 6.21253 11.9359 6.93652 11.8898 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 9.19499 7.11647 5.56175 11.9162 9.36805 13.1853 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.5834 8.7419 6.8425 4.78647 7.18956 10.8957 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.73411 7.75485 5.60236 9.9234 6.87664 10.2775 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 7.07564 9.11052 5.60236 4.92261 6.87664 10.2775 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.67917 8.96639 5.40359 10.761 9.90142 5.9216 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.96639 5.67917 5.40359 12.8735 9.68513 12.5477 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 8.96639 5.67917 5.40359 10.761 5.9216 9.90142 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 4.87108 7.64276 5.34096 5.61491 7.49471 7.19008 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 7.64276 4.87108 5.34096 13.9044 6.55759 10.5202 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 7.64276 4.87108 5.34096 13.3748 7.02475 12.1784 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 7.64276 4.87108 5.34096 11.6924 7.67322 12.1937 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 7.64276 4.87108 5.34096 5.61491 7.19008 7.49471 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 8.83775 7.58272 8.29447 9.59763 6.35287 12.1774 numMergedOcc 0
