0 mol 18 unq 0 iso 0 dist 6.79099 13.4014 9.51761 5.27833 7.3094 9.70492 7.67828 7.55766 12.4713 6.48196 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.79099 5.27833 7.3094 13.4014 9.51761 9.70492 7.67828 7.55766 6.48196 12.4713 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 12.092 6.20293 5.06502 7.56926 8.60739 5.64171 9.06158 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.16827 12.092 6.20293 7.23774 5.73819 5.06502 7.56926 8.60739 9.06158 5.64171 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.16827 7.23774 5.73819 10.7423 8.93915 5.89973 7.56926 8.60739 5.64171 11.3891 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 9.16827 10.7423 8.93915 7.23774 5.73819 5.89973 7.56926 8.60739 11.3891 5.64171 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.7423 8.93915 6.45462 7.56926 8.60739 9.06158 11.3891 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 9.16827 10.7423 8.93915 12.092 6.20293 6.45462 7.56926 8.60739 11.3891 9.06158 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 13.3091 7.34143 9.162 9.24617 9.66501 4.88603 12.277 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 9.24617 9.66501 12.277 4.88603 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 7.47417 8.90624 9.80098 13.0115 7.34143 9.162 5.10567 9.66501 4.88603 12.277 numMergedOcc 0
11 mol 52 unq 1 iso 1 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 5.10567 9.66501 12.277 4.88603 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 5.25231 9.00544 11.8512 14.9392 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 5.25231 9.00544 14.9392 11.8512 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 6.16378 7.12017 9.52882 12.6602 numMergedOcc 0
15 mol 100 unq 1 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 6.16378 7.12017 12.6602 9.52882 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 5.25231 9.00544 11.8512 9.01214 numMergedOcc 0
17 mol 100 unq 2 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 5.25231 9.00544 9.01214 11.8512 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 6.16378 7.12017 9.52882 14.8674 numMergedOcc 0
19 mol 100 unq 3 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 6.16378 7.12017 14.8674 9.52882 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 5.25231 9.00544 14.9392 9.01214 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 5.25231 9.00544 9.01214 14.9392 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 6.16378 7.12017 12.6602 14.8674 numMergedOcc 0
23 mol 100 unq 3 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 6.16378 7.12017 14.8674 12.6602 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 8.90536 9.00544 11.8512 14.9392 numMergedOcc 0
25 mol 100 unq 4 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 8.90536 9.00544 14.9392 11.8512 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 5.69359 7.12017 9.52882 12.6602 numMergedOcc 0
27 mol 100 unq 5 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 5.69359 7.12017 12.6602 9.52882 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 8.90536 9.00544 11.8512 9.01214 numMergedOcc 0
29 mol 100 unq 6 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 8.90536 9.00544 9.01214 11.8512 numMergedOcc 0
30 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 5.69359 7.12017 9.52882 14.8674 numMergedOcc 0
31 mol 100 unq 7 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 5.69359 7.12017 14.8674 9.52882 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 8.90536 9.00544 14.9392 9.01214 numMergedOcc 0
33 mol 100 unq 6 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 8.90536 9.00544 9.01214 14.9392 numMergedOcc 0
34 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 5.69359 7.12017 12.6602 14.8674 numMergedOcc 0
35 mol 100 unq 7 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 5.69359 7.12017 14.8674 12.6602 numMergedOcc 0
36 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 9.7695 7.45389 7.05226 12.468 8.729 11.0629 5.48848 numMergedOcc 0
37 mol 112 unq 0 iso 1 dist 7.65229 9.7695 7.45389 5.43987 9.60462 7.05226 12.468 8.729 5.48848 11.0629 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 5.50042 5.53031 5.35679 8.46636 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 5.50042 5.53031 8.46636 5.35679 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 6.09526 6.51749 13.8722 5.93488 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 6.09526 6.51749 5.93488 13.8722 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 6.09526 6.51749 13.8722 7.64267 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 6.09526 6.51749 7.64267 13.8722 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 6.09526 6.51749 5.93488 7.64267 numMergedOcc 0
45 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 6.09526 6.51749 7.64267 5.93488 numMergedOcc 0
46 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 6.93447 7.24199 7.0057 8.51255 numMergedOcc 0
47 mol 192 unq 0 iso 1 dist 9.05666 10.8223 7.00794 5.64431 5.59424 5.76246 6.93447 7.24199 8.51255 7.0057 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 7.58285 8.51516 10.8344 10.2224 6.85441 8.17229 5.74707 numMergedOcc 0
49 mol 204 unq 0 iso 1 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 10.2224 6.85441 5.74707 8.17229 numMergedOcc 0
50 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 13.472 9.774 10.4 5.90709 8.70977 6.3188 9.9412 numMergedOcc 0
51 mol 206 unq 0 iso 1 dist 8.59262 13.472 9.774 4.38308 8.02137 10.4 5.90709 8.70977 9.9412 6.3188 numMergedOcc 0
52 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 12.2622 7.14453 9.10746 8.62938 6.38157 7.38025 9.35273 numMergedOcc 0
53 mol 214 unq 0 iso 1 dist 6.83122 12.2622 7.14453 9.3424 9.65138 9.10746 8.62938 6.38157 9.35273 7.38025 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 6.83122 9.3424 9.65138 6.75833 8.85478 4.40923 8.62938 6.38157 7.38025 5.63388 numMergedOcc 0
55 mol 214 unq 1 iso 1 dist 6.83122 6.75833 8.85478 9.3424 9.65138 4.40923 8.62938 6.38157 5.63388 7.38025 numMergedOcc 0
56 mol 214 unq 1 iso 0 dist 6.83122 12.2622 7.14453 6.75833 8.85478 11.3796 8.62938 6.38157 9.35273 5.63388 numMergedOcc 0
57 mol 214 unq 1 iso 1 dist 6.83122 6.75833 8.85478 12.2622 7.14453 11.3796 8.62938 6.38157 5.63388 9.35273 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.41675 6.61986 9.54151 5.63106 8.37597 6.77927 4.59567 numMergedOcc 0
59 mol 224 unq 0 iso 1 dist 7.69537 5.41675 6.61986 5.92906 9.40098 9.54151 5.63106 8.37597 4.59567 6.77927 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 9.2521 12.8083 6.22714 10.1821 7.31233 5.34096 6.12311 5.64181 10.216 7.83352 numMergedOcc 0
61 mol 238 unq 0 iso 1 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 6.12311 5.64181 7.83352 10.216 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 16.8096 9.2288 8.41807 13.7796 7.50201 11.056 5.23748 numMergedOcc 0
63 mol 252 unq 0 iso 1 dist 9.78185 16.8096 9.2288 17.5012 8.33025 8.41807 13.7796 7.50201 5.23748 11.056 numMergedOcc 0
64 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 6.79692 7.19638 14.9102 13.7796 7.50201 11.056 7.63376 numMergedOcc 0
65 mol 252 unq 1 iso 1 dist 9.78185 6.79692 7.19638 17.5012 8.33025 14.9102 13.7796 7.50201 7.63376 11.056 numMergedOcc 0
66 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 6.79692 7.19638 11.7918 13.7796 7.50201 5.23748 7.63376 numMergedOcc 0
67 mol 252 unq 1 iso 1 dist 9.78185 6.79692 7.19638 16.8096 9.2288 11.7918 13.7796 7.50201 7.63376 5.23748 numMergedOcc 0
68 mol 272 unq 0 iso 0 dist 7.66615 11.4664 9.97651 10.3544 8.46116 8.12676 6.43352 9.19033 10.26 13.5034 numMergedOcc 0
69 mol 272 unq 0 iso 1 dist 7.66615 10.3544 8.46116 11.4664 9.97651 8.12676 6.43352 9.19033 13.5034 10.26 numMergedOcc 0
