0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 9.49646 3.73215 8.87744 6.28159 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 13.4236 12.7147 9.48085 5.18617 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 13.4236 12.7147 9.48085 5.68041 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 12.0576 11.734 8.27883 4.99174 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 10.4457 6.95874 5.75428 4.46005 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 9.59704 9.43547 9.85409 15.917 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 12.0576 11.734 8.27883 8.67311 numMergedOcc 0
7 mol 95 unq 4 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 10.4457 6.95874 5.75428 3.94293 numMergedOcc 0
8 mol 95 unq 5 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 9.59704 9.43547 9.85409 13.7484 numMergedOcc 0
9 mol 95 unq 6 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 12.0576 11.734 8.27883 15.6249 numMergedOcc 0
10 mol 95 unq 7 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 10.4457 6.95874 5.75428 12.4896 numMergedOcc 0
11 mol 95 unq 8 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 9.59704 9.43547 9.85409 8.78079 numMergedOcc 0
12 mol 95 unq 9 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 12.0576 17.4304 8.27883 4.99174 numMergedOcc 0
13 mol 95 unq 10 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 10.4457 12.3063 5.75428 4.46005 numMergedOcc 0
14 mol 95 unq 11 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 9.70292 9.43547 8.57395 8.28518 numMergedOcc 0
15 mol 95 unq 12 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 12.0576 17.4304 8.27883 8.67311 numMergedOcc 0
16 mol 95 unq 13 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 10.4457 12.3063 5.75428 3.94293 numMergedOcc 0
17 mol 95 unq 14 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 9.70292 9.43547 8.57395 9.22202 numMergedOcc 0
18 mol 95 unq 15 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 12.0576 17.4304 8.27883 15.6249 numMergedOcc 0
19 mol 95 unq 16 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 10.4457 12.3063 5.75428 12.4896 numMergedOcc 0
20 mol 95 unq 17 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 9.70292 9.43547 8.57395 14.2178 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 10.5543 6.70343 5.2571 3.9764 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 7.34638 9.6331 7.02507 7.03983 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 14.2657 6.70343 7.54889 10.4782 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 8.3505 9.6331 5.92242 3.9764 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 8.32269 9.6331 5.92242 3.9764 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 12.9554 6.70343 5.2571 3.9764 numMergedOcc 0
27 mol 98 unq 6 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 9.58039 6.70343 5.2571 3.9764 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 6.67635 10.0698 7.86666 17.0778 13.0886 7.34473 13.1156 7.49425 6.29161 6.73011 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 8.42219 11.8122 9.42082 18.633 15.3161 7.30858 16.5482 11.044 7.69765 10.3209 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 16.5482 11.044 7.69765 4.48636 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 16.5482 11.044 7.69765 11.835 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 10.2333 12.1739 8.54584 8.23699 5.94312 6.69691 8.26896 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 6.53559 6.43966 5.51197 10.2333 12.1739 8.54584 7.90844 9.74141 8.86944 5.63254 numMergedOcc 0
34 mol 129 unq 2 iso 0 dist 8.09774 5.56946 5.51197 13.5311 12.1739 8.54584 11.4776 5.94312 6.69691 8.26896 numMergedOcc 0
35 mol 129 unq 3 iso 0 dist 8.09774 5.56946 5.51197 13.5311 12.1739 8.54584 14.427 9.74141 8.86944 5.63254 numMergedOcc 0
36 mol 129 unq 4 iso 0 dist 7.90844 6.43966 8.86944 10.2333 5.63254 8.54584 6.53559 9.74141 5.51197 12.1739 numMergedOcc 0
37 mol 129 unq 5 iso 0 dist 7.90844 6.43966 8.86944 10.2333 5.63254 8.54584 8.23699 5.35495 6.69691 8.26896 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 10.6236 5.83782 9.1998 12.8086 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 10.6236 5.83782 9.1998 15.0225 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 12.845 13.4681 7.81207 4.67662 numMergedOcc 0
41 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 12.845 13.4681 7.81207 5.81599 numMergedOcc 0
42 mol 142 unq 2 iso 0 dist 9.15758 7.17402 7.18002 13.141 6.52253 8.96657 12.845 13.4681 7.81207 11.1 numMergedOcc 0
43 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 16.5098 12.0033 9.87651 11.1687 9.25262 7.20495 7.87971 numMergedOcc 0
44 mol 167 unq 1 iso 0 dist 8.77904 7.91498 9.2289 16.5098 12.0033 9.87651 6.48993 3.55199 7.02548 11.6011 numMergedOcc 0
45 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 16.5098 11.6011 9.87651 11.1687 6.81449 7.20495 7.87971 numMergedOcc 0
46 mol 167 unq 3 iso 0 dist 6.48993 7.91498 7.02548 16.5098 11.6011 9.87651 8.77904 3.55199 9.2289 12.0033 numMergedOcc 0
47 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 16.8669 13.1538 8.77153 14.1948 12.841 6.42257 4.04036 numMergedOcc 0
48 mol 223 unq 1 iso 0 dist 9.6936 8.78003 9.33543 13.1127 5.39728 8.6166 14.1948 12.841 6.42257 9.47076 numMergedOcc 0
49 mol 223 unq 2 iso 0 dist 9.36733 5.33327 9.33543 13.9834 13.1538 8.77153 11.4037 12.841 6.42257 4.04036 numMergedOcc 0
50 mol 223 unq 3 iso 0 dist 9.36733 5.33327 9.33543 11.478 5.39728 8.6166 11.4037 12.841 6.42257 9.47076 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 7.72489 3.51848 6.95511 11.6988 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 10.7775 8.0048 8.03219 4.04513 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 4.95855 3.51848 5.85442 10.067 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 9.30668 7.8414 8.2734 12.7549 9.14614 8.38121 14.179 numMergedOcc 0
