0 mol 0 unq 0 iso 0 dist 9.23213 8.81979 9.14029 10.3034 6.3267 14.4712 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 6.33889 5.80437 5.60154 9.29529 7.2199 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 6.85412 5.80437 5.60154 7.2199 9.29529 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.33889 6.85412 5.80437 4.61049 6.9513 10.3656 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.33889 6.85412 5.80437 6.64015 9.16116 11.0149 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 6.33889 6.85412 5.80437 13.7377 8.47109 13.0178 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.45237 7.33969 4.85203 6.42104 8.43814 11.4675 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.45237 7.33969 4.85203 6.42248 8.16689 10.0778 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.46761 7.58407 6.44201 8.74789 6.96494 6.50297 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.46761 7.58407 6.44201 6.61756 7.01363 10.2688 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.58407 6.46761 6.44201 14.7581 8.80108 12.8396 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 7.58407 6.46761 6.44201 8.74789 6.50297 6.96494 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 9.73139 6.31428 6.44201 7.02095 6.96494 6.50297 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 9.73139 6.31428 6.44201 8.94672 7.01363 10.2688 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 6.31428 9.73139 6.44201 10.3782 8.80108 12.8396 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 6.31428 9.73139 6.44201 7.02095 6.50297 6.96494 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 9.80142 9.54144 6.23335 4.94316 8.06829 10.2507 numMergedOcc 0
17 mol 64 unq 1 iso 0 dist 9.54144 9.80142 6.23335 5.68303 8.4517 11.728 numMergedOcc 0
18 mol 69 unq 0 iso 0 dist 7.04352 8.1114 14.4772 11.1718 9.70189 18.8435 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 8.66514 9.25235 4.61166 5.90098 7.71582 6.65776 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 9.25235 8.66514 4.61166 5.90098 6.65776 7.71582 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 7.64585 9.66954 12.0796 10.7942 6.40036 12.4065 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 8.59981 7.34519 12.7129 4.77464 6.3244 11.7518 numMergedOcc 0
23 mol 127 unq 1 iso 0 dist 7.66331 8.58999 12.7129 7.11695 6.3244 11.7518 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 9.87281 8.65888 10.1369 5.48883 6.51096 11.1032 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 9.87281 8.27111 6.0706 5.48883 6.51096 8.73171 numMergedOcc 0
26 mol 155 unq 2 iso 0 dist 8.87452 7.68368 6.0706 5.77564 6.51096 8.73171 numMergedOcc 0
27 mol 155 unq 3 iso 0 dist 7.16254 9.86313 7.63368 4.9093 6.51096 10.3514 numMergedOcc 0
28 mol 155 unq 4 iso 0 dist 7.16254 9.86313 7.63368 10.7896 8.73171 11.8293 numMergedOcc 0
29 mol 155 unq 5 iso 0 dist 9.86313 7.16254 7.63368 13.5062 7.37901 13.2154 numMergedOcc 0
30 mol 155 unq 6 iso 0 dist 9.14392 7.51198 7.63368 6.3437 6.51096 10.3514 numMergedOcc 0
31 mol 155 unq 7 iso 0 dist 9.14392 7.51198 7.63368 9.99927 8.73171 11.8293 numMergedOcc 0
32 mol 155 unq 8 iso 0 dist 7.51198 9.14392 7.63368 8.27726 7.37901 13.2154 numMergedOcc 0
33 mol 155 unq 9 iso 0 dist 7.39644 7.70572 9.42764 5.40375 7.37901 10.9049 numMergedOcc 0
34 mol 155 unq 10 iso 0 dist 7.36102 9.38946 5.68272 6.34186 7.37901 11.3251 numMergedOcc 0
35 mol 155 unq 11 iso 0 dist 8.27111 9.87281 6.0706 5.48883 8.73171 6.51096 numMergedOcc 0
36 mol 155 unq 12 iso 0 dist 8.27111 8.65888 5.44147 5.48883 8.73171 11.1032 numMergedOcc 0
37 mol 155 unq 13 iso 0 dist 7.68368 8.87452 6.0706 5.77564 8.73171 6.51096 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.94688 6.71012 5.3528 8.25067 8.20656 9.40622 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.71012 6.94688 5.3528 8.25067 9.40622 8.20656 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 9.59129 6.0965 6.04429 12.2579 8.74171 12.9507 numMergedOcc 0
41 mol 213 unq 1 iso 0 dist 6.68292 4.26212 4.8814 11.1063 8.74171 11.6967 numMergedOcc 0
42 mol 213 unq 2 iso 0 dist 6.68292 4.26212 4.8814 4.93472 6.85195 6.17451 numMergedOcc 0
43 mol 213 unq 3 iso 0 dist 4.26212 6.68292 4.8814 4.93472 6.17451 6.85195 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 7.17547 7.18041 9.17818 4.54272 8.57853 10.5829 numMergedOcc 0
45 mol 218 unq 1 iso 0 dist 7.17547 7.18041 9.17818 10.2673 6.75035 14.1171 numMergedOcc 0
46 mol 218 unq 2 iso 0 dist 7.13323 9.50586 4.63933 6.8949 8.57853 12.0985 numMergedOcc 0
47 mol 218 unq 3 iso 0 dist 7.13323 9.50586 4.63933 6.60235 6.75035 10.9643 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 7.06793 6.67585 6.88258 7.98696 8.89778 9.47554 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 6.67585 7.06793 6.88258 7.98696 9.47554 8.89778 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 9.62609 6.95902 8.55671 8.8709 6.152 7.95168 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 6.95902 9.62609 8.55671 8.8709 7.95168 6.152 numMergedOcc 0
52 mol 228 unq 0 iso 0 dist 9.42615 8.06181 8.57673 4.81881 7.46689 8.37287 numMergedOcc 0
53 mol 228 unq 1 iso 0 dist 8.06181 9.42615 8.57673 4.81881 8.37287 7.46689 numMergedOcc 0
54 mol 228 unq 2 iso 0 dist 7.77367 9.06121 8.22089 4.75417 8.07174 7.09766 numMergedOcc 0
55 mol 228 unq 3 iso 0 dist 9.06121 7.77367 8.22089 4.75417 7.09766 8.07174 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 5.56749 8.49841 10.0446 numMergedOcc 0
57 mol 234 unq 1 iso 0 dist 9.5707 7.85175 5.32617 12.1076 9.6101 10.7048 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 7.02475 6.55759 6.44245 8.82861 6.65088 11.4385 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 7.02475 7.67322 5.44694 8.82861 6.65088 6.5772 numMergedOcc 0
60 mol 238 unq 2 iso 0 dist 7.02475 7.19008 10.1756 8.82861 6.65088 6.17025 numMergedOcc 0
61 mol 238 unq 3 iso 0 dist 7.67322 6.55759 10.677 8.82861 6.5772 11.4385 numMergedOcc 0
62 mol 238 unq 4 iso 0 dist 7.67322 7.02475 5.44694 8.82861 6.5772 6.65088 numMergedOcc 0
63 mol 238 unq 5 iso 0 dist 7.67322 7.19008 9.50847 8.82861 6.5772 6.17025 numMergedOcc 0
64 mol 238 unq 6 iso 0 dist 5.9216 9.68513 4.83721 10.438 8.70193 10.9442 numMergedOcc 0
65 mol 238 unq 7 iso 0 dist 8.14172 8.09066 10.9258 5.68826 6.00721 11.5207 numMergedOcc 0
66 mol 238 unq 8 iso 0 dist 6.77463 7.2766 10.9258 4.87097 6.00721 11.5207 numMergedOcc 0
67 mol 238 unq 9 iso 0 dist 7.19008 6.55759 12.1411 8.82861 6.17025 11.4385 numMergedOcc 0
68 mol 238 unq 10 iso 0 dist 7.19008 7.02475 10.1756 8.82861 6.17025 6.65088 numMergedOcc 0
69 mol 238 unq 11 iso 0 dist 7.19008 7.67322 9.50847 8.82861 6.17025 6.5772 numMergedOcc 0
70 mol 239 unq 0 iso 0 dist 7.39747 8.1777 4.89061 7.04058 6.34801 9.95595 numMergedOcc 0
71 mol 293 unq 0 iso 0 dist 9.97212 9.47908 7.08365 5.82671 9.70656 10.5462 numMergedOcc 0
72 mol 293 unq 1 iso 0 dist 9.97212 9.47908 7.08365 8.15509 6.33356 10.055 numMergedOcc 0
