0 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 8.60739 5.64171 9.06158 11.3891 6.75943 4.96926 5.41726 10.0383 4.55347 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 8.60739 5.64171 11.3891 9.06158 6.75943 4.96926 10.0383 5.41726 4.55347 numMergedOcc 0
2 mol 43 unq 0 iso 2 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.60739 9.06158 5.64171 11.3891 6.75943 5.41726 4.96926 10.0383 4.55347 numMergedOcc 0
3 mol 43 unq 0 iso 3 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.60739 9.06158 11.3891 5.64171 6.75943 5.41726 10.0383 4.96926 4.55347 numMergedOcc 0
4 mol 43 unq 0 iso 4 dist 8.93915 5.73819 5.89973 6.20293 6.45462 5.06502 8.60739 11.3891 5.64171 9.06158 6.75943 10.0383 4.96926 5.41726 4.55347 numMergedOcc 0
5 mol 43 unq 0 iso 5 dist 8.93915 6.20293 6.45462 5.73819 5.89973 5.06502 8.60739 11.3891 9.06158 5.64171 6.75943 10.0383 5.41726 4.96926 4.55347 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.75218 13.7412 12.016 7.04044 15.7304 8.26458 8.35241 9.73086 17.4121 5.70116 14.844 7.8972 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 9.38498 9.75218 13.7412 9.96396 15.7123 12.016 7.04044 15.7304 8.35241 8.26458 9.73086 17.4121 14.844 5.70116 7.8972 numMergedOcc 0
8 mol 73 unq 0 iso 2 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 7.04044 8.26458 15.7304 8.35241 9.73086 5.70116 17.4121 14.844 7.8972 numMergedOcc 0
9 mol 73 unq 0 iso 3 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 7.04044 8.26458 8.35241 15.7304 9.73086 5.70116 14.844 17.4121 7.8972 numMergedOcc 0
10 mol 73 unq 0 iso 4 dist 9.75218 9.38498 13.7412 9.96396 12.016 15.7123 7.04044 8.35241 15.7304 8.26458 9.73086 14.844 17.4121 5.70116 7.8972 numMergedOcc 0
11 mol 73 unq 0 iso 5 dist 9.75218 9.96396 12.016 9.38498 13.7412 15.7123 7.04044 8.35241 8.26458 15.7304 9.73086 14.844 5.70116 17.4121 7.8972 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 7.33422 6.82174 7.91778 10.121 7.7068 6.36397 4.41789 5.59906 6.33204 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 7.33422 6.82174 10.121 7.91778 7.7068 6.36397 5.59906 4.41789 6.33204 numMergedOcc 0
14 mol 85 unq 0 iso 2 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.33422 7.91778 6.82174 10.121 7.7068 4.41789 6.36397 5.59906 6.33204 numMergedOcc 0
15 mol 85 unq 0 iso 3 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.33422 7.91778 10.121 6.82174 7.7068 4.41789 5.59906 6.36397 6.33204 numMergedOcc 0
16 mol 85 unq 0 iso 4 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.33422 10.121 6.82174 7.91778 7.7068 5.59906 6.36397 4.41789 6.33204 numMergedOcc 0
17 mol 85 unq 0 iso 5 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.33422 10.121 7.91778 6.82174 7.7068 5.59906 4.41789 6.36397 6.33204 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 9.00544 11.8512 14.9392 9.01214 7.82475 5.43561 5.9143 5.25234 11.3766 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 9.00544 11.8512 9.01214 14.9392 7.82475 5.43561 5.25234 5.9143 11.3766 numMergedOcc 0
20 mol 100 unq 0 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 7.82475 5.9143 5.43561 5.25234 11.3766 numMergedOcc 0
21 mol 100 unq 0 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 7.82475 5.9143 5.25234 5.43561 11.3766 numMergedOcc 0
22 mol 100 unq 0 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 9.00544 9.01214 11.8512 14.9392 7.82475 5.25234 5.43561 5.9143 11.3766 numMergedOcc 0
23 mol 100 unq 0 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 9.00544 9.01214 14.9392 11.8512 7.82475 5.25234 5.9143 5.43561 11.3766 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 9.00544 11.8512 14.9392 9.01214 5.35782 6.30222 5.47563 5.03232 10.5056 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 9.00544 11.8512 9.01214 14.9392 5.35782 6.30222 5.03232 5.47563 10.5056 numMergedOcc 0
26 mol 100 unq 1 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 5.35782 5.47563 6.30222 5.03232 10.5056 numMergedOcc 0
27 mol 100 unq 1 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 5.35782 5.47563 5.03232 6.30222 10.5056 numMergedOcc 0
28 mol 100 unq 1 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 9.00544 9.01214 11.8512 14.9392 5.35782 5.03232 6.30222 5.47563 10.5056 numMergedOcc 0
29 mol 100 unq 1 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 9.00544 9.01214 14.9392 11.8512 5.35782 5.03232 5.47563 6.30222 10.5056 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 7.12017 9.52882 12.6602 14.8674 7.82475 5.43561 5.9143 5.25234 13.4027 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 7.12017 9.52882 14.8674 12.6602 7.82475 5.43561 5.25234 5.9143 13.4027 numMergedOcc 0
32 mol 100 unq 2 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 7.82475 5.9143 5.43561 5.25234 13.4027 numMergedOcc 0
33 mol 100 unq 2 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 7.82475 5.9143 5.25234 5.43561 13.4027 numMergedOcc 0
34 mol 100 unq 2 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 7.12017 14.8674 9.52882 12.6602 7.82475 5.25234 5.43561 5.9143 13.4027 numMergedOcc 0
35 mol 100 unq 2 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 7.12017 14.8674 12.6602 9.52882 7.82475 5.25234 5.9143 5.43561 13.4027 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 7.12017 9.52882 12.6602 14.8674 5.35782 6.30222 5.47563 5.03232 12.068 numMergedOcc 0
37 mol 100 unq 3 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 7.12017 9.52882 14.8674 12.6602 5.35782 6.30222 5.03232 5.47563 12.068 numMergedOcc 0
38 mol 100 unq 3 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 5.35782 5.47563 6.30222 5.03232 12.068 numMergedOcc 0
39 mol 100 unq 3 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 5.35782 5.47563 5.03232 6.30222 12.068 numMergedOcc 0
40 mol 100 unq 3 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 7.12017 14.8674 9.52882 12.6602 5.35782 5.03232 6.30222 5.47563 12.068 numMergedOcc 0
41 mol 100 unq 3 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 7.12017 14.8674 12.6602 9.52882 5.35782 5.03232 5.47563 6.30222 12.068 numMergedOcc 0
42 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 7.88312 11.5723 8.02349 5.72642 5.61704 6.4497 7.3094 7.69765 10.3209 4.48636 11.835 7.27912 numMergedOcc 0
43 mol 115 unq 0 iso 1 dist 7.30858 7.88312 11.5723 5.83991 10.8507 8.02349 5.72642 5.61704 7.3094 6.4497 7.69765 10.3209 11.835 4.48636 7.27912 numMergedOcc 0
44 mol 115 unq 0 iso 2 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 5.72642 6.4497 5.61704 7.3094 7.69765 4.48636 10.3209 11.835 7.27912 numMergedOcc 0
45 mol 115 unq 0 iso 3 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 5.72642 6.4497 7.3094 5.61704 7.69765 4.48636 11.835 10.3209 7.27912 numMergedOcc 0
46 mol 115 unq 0 iso 4 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 5.72642 7.3094 5.61704 6.4497 7.69765 11.835 10.3209 4.48636 7.27912 numMergedOcc 0
47 mol 115 unq 0 iso 5 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 5.72642 7.3094 6.4497 5.61704 7.69765 11.835 4.48636 10.3209 7.27912 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 7.88312 11.5723 8.02349 5.72642 5.61704 6.4497 7.3094 9.42082 15.3161 6.63111 6.07067 10.5109 numMergedOcc 0
49 mol 115 unq 1 iso 1 dist 7.30858 7.88312 11.5723 5.83991 10.8507 8.02349 5.72642 5.61704 7.3094 6.4497 9.42082 15.3161 6.07067 6.63111 10.5109 numMergedOcc 0
50 mol 115 unq 1 iso 2 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 5.72642 6.4497 5.61704 7.3094 9.42082 6.63111 15.3161 6.07067 10.5109 numMergedOcc 0
51 mol 115 unq 1 iso 3 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 5.72642 6.4497 7.3094 5.61704 9.42082 6.63111 6.07067 15.3161 10.5109 numMergedOcc 0
52 mol 115 unq 1 iso 4 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 5.72642 7.3094 5.61704 6.4497 9.42082 6.07067 15.3161 6.63111 10.5109 numMergedOcc 0
53 mol 115 unq 1 iso 5 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 5.72642 7.3094 6.4497 5.61704 9.42082 6.07067 6.63111 15.3161 10.5109 numMergedOcc 0
54 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 9.17106 12.6057 8.38032 8.16815 7.81207 4.67662 5.81599 11.1 9.38687 numMergedOcc 0
55 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 9.17106 12.6057 8.16815 8.38032 7.81207 4.67662 11.1 5.81599 9.38687 numMergedOcc 0
56 mol 142 unq 0 iso 2 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 9.17106 8.38032 12.6057 8.16815 7.81207 5.81599 4.67662 11.1 9.38687 numMergedOcc 0
57 mol 142 unq 0 iso 3 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 9.17106 8.38032 8.16815 12.6057 7.81207 5.81599 11.1 4.67662 9.38687 numMergedOcc 0
58 mol 142 unq 0 iso 4 dist 8.96657 9.2313 11.1395 7.73169 5.92693 5.50998 9.17106 8.16815 12.6057 8.38032 7.81207 11.1 4.67662 5.81599 9.38687 numMergedOcc 0
59 mol 142 unq 0 iso 5 dist 8.96657 7.73169 5.92693 9.2313 11.1395 5.50998 9.17106 8.16815 8.38032 12.6057 7.81207 11.1 5.81599 4.67662 9.38687 numMergedOcc 0
60 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 9.17106 12.6057 8.38032 8.16815 7.18002 13.5913 9.99555 6.52253 11.093 numMergedOcc 0
61 mol 142 unq 1 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 9.17106 12.6057 8.16815 8.38032 7.18002 13.5913 6.52253 9.99555 11.093 numMergedOcc 0
62 mol 142 unq 1 iso 2 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 9.17106 8.38032 12.6057 8.16815 7.18002 9.99555 13.5913 6.52253 11.093 numMergedOcc 0
63 mol 142 unq 1 iso 3 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 9.17106 8.38032 8.16815 12.6057 7.18002 9.99555 6.52253 13.5913 11.093 numMergedOcc 0
64 mol 142 unq 1 iso 4 dist 8.96657 9.2313 11.1395 7.73169 5.92693 5.50998 9.17106 8.16815 12.6057 8.38032 7.18002 6.52253 13.5913 9.99555 11.093 numMergedOcc 0
65 mol 142 unq 1 iso 5 dist 8.96657 7.73169 5.92693 9.2313 11.1395 5.50998 9.17106 8.16815 8.38032 12.6057 7.18002 6.52253 9.99555 13.5913 11.093 numMergedOcc 0
66 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 8.28642 5.70788 9.35627 11.2078 6.70693 4.94983 5.39112 9.67475 4.71678 numMergedOcc 0
67 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 8.28642 5.70788 11.2078 9.35627 6.70693 4.94983 9.67475 5.39112 4.71678 numMergedOcc 0
68 mol 152 unq 0 iso 2 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.28642 9.35627 5.70788 11.2078 6.70693 5.39112 4.94983 9.67475 4.71678 numMergedOcc 0
69 mol 152 unq 0 iso 3 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.28642 9.35627 11.2078 5.70788 6.70693 5.39112 9.67475 4.94983 4.71678 numMergedOcc 0
70 mol 152 unq 0 iso 4 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 8.28642 11.2078 5.70788 9.35627 6.70693 9.67475 4.94983 5.39112 4.71678 numMergedOcc 0
71 mol 152 unq 0 iso 5 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 8.28642 11.2078 9.35627 5.70788 6.70693 9.67475 5.39112 4.94983 4.71678 numMergedOcc 0
72 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 7.17202 11.7381 9.89739 4.92088 10.1489 8.27339 9.79302 9.11204 8.44333 6.8202 14.9499 7.79894 numMergedOcc 0
73 mol 178 unq 0 iso 1 dist 6.69288 7.17202 11.7381 6.43573 5.34677 9.89739 4.92088 10.1489 9.79302 8.27339 9.11204 8.44333 14.9499 6.8202 7.79894 numMergedOcc 0
74 mol 178 unq 0 iso 2 dist 6.43573 6.69288 5.34677 7.17202 9.89739 11.7381 4.92088 8.27339 10.1489 9.79302 9.11204 6.8202 8.44333 14.9499 7.79894 numMergedOcc 0
75 mol 178 unq 0 iso 3 dist 6.43573 7.17202 9.89739 6.69288 5.34677 11.7381 4.92088 8.27339 9.79302 10.1489 9.11204 6.8202 14.9499 8.44333 7.79894 numMergedOcc 0
76 mol 178 unq 0 iso 4 dist 7.17202 6.69288 11.7381 6.43573 9.89739 5.34677 4.92088 9.79302 10.1489 8.27339 9.11204 14.9499 8.44333 6.8202 7.79894 numMergedOcc 0
77 mol 178 unq 0 iso 5 dist 7.17202 6.43573 9.89739 6.69288 11.7381 5.34677 4.92088 9.79302 8.27339 10.1489 9.11204 14.9499 6.8202 8.44333 7.79894 numMergedOcc 0
78 mol 178 unq 1 iso 0 dist 6.69288 6.43573 5.34677 8.81551 14.0703 10.5529 4.92088 10.1489 8.27339 8.65097 9.11204 8.44333 6.8202 14.2467 7.79894 numMergedOcc 0
79 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 6.43573 5.34677 10.5529 4.92088 10.1489 8.65097 8.27339 9.11204 8.44333 14.2467 6.8202 7.79894 numMergedOcc 0
80 mol 178 unq 1 iso 2 dist 6.43573 6.69288 5.34677 8.81551 10.5529 14.0703 4.92088 8.27339 10.1489 8.65097 9.11204 6.8202 8.44333 14.2467 7.79894 numMergedOcc 0
81 mol 178 unq 1 iso 3 dist 6.43573 8.81551 10.5529 6.69288 5.34677 14.0703 4.92088 8.27339 8.65097 10.1489 9.11204 6.8202 14.2467 8.44333 7.79894 numMergedOcc 0
82 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 6.43573 10.5529 5.34677 4.92088 8.65097 10.1489 8.27339 9.11204 14.2467 8.44333 6.8202 7.79894 numMergedOcc 0
83 mol 178 unq 1 iso 5 dist 8.81551 6.43573 10.5529 6.69288 14.0703 5.34677 4.92088 8.65097 8.27339 10.1489 9.11204 14.2467 6.8202 8.44333 7.79894 numMergedOcc 0
84 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.81551 14.0703 5.18005 4.92088 10.1489 9.79302 8.65097 9.11204 8.44333 14.9499 14.2467 7.79894 numMergedOcc 0
85 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 7.17202 11.7381 5.18005 4.92088 10.1489 8.65097 9.79302 9.11204 8.44333 14.2467 14.9499 7.79894 numMergedOcc 0
86 mol 178 unq 1 iso 2 dist 7.17202 6.69288 11.7381 8.81551 5.18005 14.0703 4.92088 9.79302 10.1489 8.65097 9.11204 14.9499 8.44333 14.2467 7.79894 numMergedOcc 0
87 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.69288 11.7381 14.0703 4.92088 9.79302 8.65097 10.1489 9.11204 14.9499 14.2467 8.44333 7.79894 numMergedOcc 0
88 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 7.17202 5.18005 11.7381 4.92088 8.65097 10.1489 9.79302 9.11204 14.2467 8.44333 14.9499 7.79894 numMergedOcc 0
89 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.69288 14.0703 11.7381 4.92088 8.65097 9.79302 10.1489 9.11204 14.2467 14.9499 8.44333 7.79894 numMergedOcc 0
90 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.81551 10.5529 5.18005 4.92088 8.27339 9.79302 8.65097 9.11204 6.8202 14.9499 14.2467 7.79894 numMergedOcc 0
91 mol 178 unq 1 iso 1 dist 6.43573 8.81551 10.5529 7.17202 9.89739 5.18005 4.92088 8.27339 8.65097 9.79302 9.11204 6.8202 14.2467 14.9499 7.79894 numMergedOcc 0
92 mol 178 unq 1 iso 2 dist 7.17202 6.43573 9.89739 8.81551 5.18005 10.5529 4.92088 9.79302 8.27339 8.65097 9.11204 14.9499 6.8202 14.2467 7.79894 numMergedOcc 0
93 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.43573 9.89739 10.5529 4.92088 9.79302 8.65097 8.27339 9.11204 14.9499 14.2467 6.8202 7.79894 numMergedOcc 0
94 mol 178 unq 1 iso 4 dist 8.81551 6.43573 10.5529 7.17202 5.18005 9.89739 4.92088 8.65097 8.27339 9.79302 9.11204 14.2467 6.8202 14.9499 7.79894 numMergedOcc 0
95 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.43573 10.5529 9.89739 4.92088 8.65097 9.79302 8.27339 9.11204 14.2467 14.9499 6.8202 7.79894 numMergedOcc 0
96 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 8.85478 4.40923 11.3796 6.38157 7.38025 9.35273 5.63388 7.46481 11.4955 8.459 11.1534 5.73082 numMergedOcc 0
97 mol 214 unq 0 iso 1 dist 9.65138 8.85478 4.40923 7.14453 9.10746 11.3796 6.38157 7.38025 5.63388 9.35273 7.46481 11.4955 11.1534 8.459 5.73082 numMergedOcc 0
98 mol 214 unq 0 iso 2 dist 7.14453 9.65138 9.10746 8.85478 11.3796 4.40923 6.38157 9.35273 7.38025 5.63388 7.46481 8.459 11.4955 11.1534 5.73082 numMergedOcc 0
99 mol 214 unq 0 iso 3 dist 7.14453 8.85478 11.3796 9.65138 9.10746 4.40923 6.38157 9.35273 5.63388 7.38025 7.46481 8.459 11.1534 11.4955 5.73082 numMergedOcc 0
100 mol 214 unq 0 iso 4 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 6.38157 5.63388 7.38025 9.35273 7.46481 11.1534 11.4955 8.459 5.73082 numMergedOcc 0
101 mol 214 unq 0 iso 5 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 6.38157 5.63388 9.35273 7.38025 7.46481 11.1534 8.459 11.4955 5.73082 numMergedOcc 0
102 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 8.50331 7.22918 9.05842 7.00028 9.3206 4.27181 4.89609 10.5774 5.59363 numMergedOcc 0
103 mol 236 unq 0 iso 1 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 8.50331 7.22918 7.00028 9.05842 9.3206 4.27181 10.5774 4.89609 5.59363 numMergedOcc 0
104 mol 236 unq 0 iso 2 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 8.50331 9.05842 7.22918 7.00028 9.3206 4.89609 4.27181 10.5774 5.59363 numMergedOcc 0
105 mol 236 unq 0 iso 3 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 8.50331 9.05842 7.00028 7.22918 9.3206 4.89609 10.5774 4.27181 5.59363 numMergedOcc 0
106 mol 236 unq 0 iso 4 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 8.50331 7.00028 7.22918 9.05842 9.3206 10.5774 4.27181 4.89609 5.59363 numMergedOcc 0
107 mol 236 unq 0 iso 5 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 8.50331 7.00028 9.05842 7.22918 9.3206 10.5774 4.89609 4.27181 5.59363 numMergedOcc 0
