0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 11.4878 7.2199 5.80437 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.47421 11.4878 7.2199 8.27962 9.29529 5.80437 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 4.61049 6.9513 6.27573 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.33889 4.61049 6.9513 5.60154 7.2199 6.27573 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.33889 5.60154 7.2199 6.64015 9.16116 11.1737 numMergedOcc 0
5 mol 9 unq 2 iso 1 dist 6.33889 6.64015 9.16116 5.60154 7.2199 11.1737 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 6.33889 5.60154 7.2199 13.7377 8.47109 10.9842 numMergedOcc 0
7 mol 9 unq 3 iso 1 dist 6.33889 13.7377 8.47109 5.60154 7.2199 10.9842 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 6.33889 4.61049 6.9513 6.64015 9.16116 5.63132 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 6.33889 6.64015 9.16116 4.61049 6.9513 5.63132 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 6.33889 4.61049 6.9513 13.7377 8.47109 12.6338 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 6.33889 13.7377 8.47109 4.61049 6.9513 12.6338 numMergedOcc 0
12 mol 9 unq 3 iso 0 dist 6.33889 6.64015 9.16116 13.7377 8.47109 16.406 numMergedOcc 0
13 mol 9 unq 3 iso 1 dist 6.33889 13.7377 8.47109 6.64015 9.16116 16.406 numMergedOcc 0
14 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 6.68431 7.48825 9.61004 numMergedOcc 0
15 mol 32 unq 0 iso 1 dist 8.68559 6.68431 7.48825 7.93694 7.18766 9.61004 numMergedOcc 0
16 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 6.42248 8.16689 6.26783 numMergedOcc 0
17 mol 39 unq 0 iso 1 dist 7.45237 6.42248 8.16689 6.42104 8.43814 6.26783 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 numMergedOcc 0
19 mol 45 unq 0 iso 1 dist 9.20119 16.2375 8.13782 5.67689 8.59109 14.5783 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 6.40841 5.64209 6.50297 4.55117 8.80108 7.57085 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 8.63333 10.6476 6.96494 5.92889 7.01363 6.49184 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 8.63333 5.92889 7.01363 10.6476 6.96494 6.49184 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 7.05413 7.01363 6.49184 numMergedOcc 0
25 mol 58 unq 2 iso 1 dist 8.89374 7.05413 7.01363 12.7331 6.96494 6.49184 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.46761 8.74789 6.96494 6.61756 7.01363 6.49184 numMergedOcc 0
27 mol 58 unq 3 iso 1 dist 6.46761 6.61756 7.01363 8.74789 6.96494 6.49184 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 numMergedOcc 0
29 mol 58 unq 4 iso 1 dist 7.58407 8.74789 6.50297 14.7581 8.80108 7.57085 numMergedOcc 0
30 mol 58 unq 5 iso 0 dist 9.73139 7.02095 6.96494 8.94672 7.01363 6.49184 numMergedOcc 0
31 mol 58 unq 5 iso 1 dist 9.73139 8.94672 7.01363 7.02095 6.96494 6.49184 numMergedOcc 0
32 mol 58 unq 6 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 numMergedOcc 0
33 mol 58 unq 6 iso 1 dist 6.31428 7.02095 6.50297 10.3782 8.80108 7.57085 numMergedOcc 0
34 mol 72 unq 0 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 numMergedOcc 0
35 mol 72 unq 0 iso 1 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 numMergedOcc 0
36 mol 99 unq 0 iso 0 dist 7.72108 5.81128 6.6925 4.91474 7.12746 6.66417 numMergedOcc 0
37 mol 99 unq 0 iso 1 dist 7.72108 4.91474 7.12746 5.81128 6.6925 6.66417 numMergedOcc 0
38 mol 105 unq 0 iso 0 dist 8.36733 6.25861 6.52726 5.88211 9.12363 10.882 numMergedOcc 0
39 mol 105 unq 0 iso 1 dist 8.36733 5.88211 9.12363 6.25861 6.52726 10.882 numMergedOcc 0
40 mol 105 unq 1 iso 0 dist 8.36733 6.25861 6.52726 9.02292 6.50017 11.3312 numMergedOcc 0
41 mol 105 unq 1 iso 1 dist 8.36733 9.02292 6.50017 6.25861 6.52726 11.3312 numMergedOcc 0
42 mol 105 unq 1 iso 0 dist 8.36733 5.88211 9.12363 9.02292 6.50017 5.27191 numMergedOcc 0
43 mol 105 unq 1 iso 1 dist 8.36733 9.02292 6.50017 5.88211 9.12363 5.27191 numMergedOcc 0
44 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 6.95201 8.39249 7.68699 numMergedOcc 0
45 mol 114 unq 0 iso 1 dist 6.73814 6.95201 8.39249 12.1324 9.86739 7.68699 numMergedOcc 0
46 mol 114 unq 1 iso 0 dist 6.73814 12.1324 9.86739 5.9968 8.93623 11.9022 numMergedOcc 0
47 mol 114 unq 1 iso 1 dist 6.73814 5.9968 8.93623 12.1324 9.86739 11.9022 numMergedOcc 0
48 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 5.9968 8.93623 10.0883 numMergedOcc 0
49 mol 114 unq 1 iso 1 dist 6.73814 5.9968 8.93623 6.95201 8.39249 10.0883 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 10.2377 6.40036 9.37623 numMergedOcc 0
51 mol 115 unq 0 iso 1 dist 7.76729 10.2377 6.40036 6.34759 7.99631 9.37623 numMergedOcc 0
52 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 15.0734 9.05357 7.38238 numMergedOcc 0
53 mol 133 unq 0 iso 1 dist 7.92688 15.0734 9.05357 11.8989 9.94276 7.38238 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 7.92688 11.8989 9.94276 9.58627 5.99299 7.08159 numMergedOcc 0
55 mol 133 unq 1 iso 1 dist 7.92688 9.58627 5.99299 11.8989 9.94276 7.08159 numMergedOcc 0
56 mol 133 unq 1 iso 0 dist 7.92688 15.0734 9.05357 9.58627 5.99299 9.00907 numMergedOcc 0
57 mol 133 unq 1 iso 1 dist 7.92688 9.58627 5.99299 15.0734 9.05357 9.00907 numMergedOcc 0
58 mol 140 unq 0 iso 0 dist 6.95323 6.69673 5.63811 5.58533 7.49546 10.1725 numMergedOcc 0
59 mol 140 unq 0 iso 1 dist 6.95323 5.58533 7.49546 6.69673 5.63811 10.1725 numMergedOcc 0
60 mol 140 unq 1 iso 0 dist 7.27371 8.17877 5.63811 4.6872 7.49546 10.1725 numMergedOcc 0
61 mol 140 unq 1 iso 1 dist 7.27371 4.6872 7.49546 8.17877 5.63811 10.1725 numMergedOcc 0
62 mol 155 unq 0 iso 0 dist 7.16254 4.9093 6.51096 10.7896 8.73171 6.0706 numMergedOcc 0
63 mol 155 unq 0 iso 1 dist 7.16254 10.7896 8.73171 4.9093 6.51096 6.0706 numMergedOcc 0
64 mol 155 unq 1 iso 0 dist 9.14392 6.3437 6.51096 9.99927 8.73171 6.0706 numMergedOcc 0
65 mol 155 unq 1 iso 1 dist 9.14392 9.99927 8.73171 6.3437 6.51096 6.0706 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 9.6668 6.80228 8.20656 11.6919 9.40622 5.3528 numMergedOcc 0
67 mol 181 unq 0 iso 1 dist 9.6668 11.6919 9.40622 6.80228 8.20656 5.3528 numMergedOcc 0
68 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 4.93472 6.85195 7.39803 numMergedOcc 0
69 mol 213 unq 0 iso 1 dist 6.68292 4.93472 6.85195 11.1063 8.74171 7.39803 numMergedOcc 0
70 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 10.2673 6.75035 8.16398 numMergedOcc 0
71 mol 218 unq 0 iso 1 dist 7.17547 10.2673 6.75035 4.54272 8.57853 8.16398 numMergedOcc 0
72 mol 218 unq 1 iso 0 dist 7.13323 6.8949 8.57853 6.60235 6.75035 8.16398 numMergedOcc 0
73 mol 218 unq 1 iso 1 dist 7.13323 6.60235 6.75035 6.8949 8.57853 8.16398 numMergedOcc 0
74 mol 224 unq 0 iso 0 dist 6.87664 9.36098 8.89778 5.29877 9.47554 6.88258 numMergedOcc 0
75 mol 224 unq 0 iso 1 dist 6.87664 5.29877 9.47554 9.36098 8.89778 6.88258 numMergedOcc 0
76 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 7.12954 9.36396 15.6443 numMergedOcc 0
77 mol 225 unq 0 iso 1 dist 5.50387 7.12954 9.36396 10.7506 8.75834 15.6443 numMergedOcc 0
78 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 numMergedOcc 0
79 mol 234 unq 0 iso 1 dist 9.5707 12.1076 9.6101 5.56749 8.49841 10.9755 numMergedOcc 0
80 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 10.5389 8.93338 8.07376 numMergedOcc 0
81 mol 243 unq 0 iso 1 dist 8.61104 10.5389 8.93338 6.55284 9.1101 8.07376 numMergedOcc 0
82 mol 250 unq 0 iso 0 dist 8.80086 11.0402 7.88284 7.26274 9.88279 6.17591 numMergedOcc 0
83 mol 250 unq 0 iso 1 dist 8.80086 7.26274 9.88279 11.0402 7.88284 6.17591 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 7.50578 11.5772 8.76313 7.44916 7.4363 6.24853 numMergedOcc 0
85 mol 259 unq 0 iso 1 dist 7.50578 7.44916 7.4363 11.5772 8.76313 6.24853 numMergedOcc 0
86 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 10.4895 8.39167 7.61559 numMergedOcc 0
87 mol 270 unq 0 iso 1 dist 8.25349 10.4895 8.39167 10.1677 9.16073 7.61559 numMergedOcc 0
88 mol 293 unq 0 iso 0 dist 9.97212 5.82671 9.70656 8.15509 6.33356 4.6465 numMergedOcc 0
89 mol 293 unq 0 iso 1 dist 9.97212 8.15509 6.33356 5.82671 9.70656 4.6465 numMergedOcc 0
