0 mol 18 unq 0 iso 0 dist 9.51761 7.3094 9.70492 7.55766 12.4713 6.48196 5.65084 12.6536 9.36767 4.8604 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.3094 9.51761 9.70492 7.55766 6.48196 12.4713 5.65084 9.36767 12.6536 4.8604 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 7.95042 5.69214 5.11636 4.47891 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 7.95042 5.11636 5.69214 4.47891 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 8.09311 11.6226 6.17155 9.94429 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 8.09311 6.17155 11.6226 9.94429 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 9.05357 13.1949 10.3122 6.88355 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 9.05357 10.3122 13.1949 6.88355 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 4.79873 10.2864 11.4148 6.86525 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 4.79873 11.4148 10.2864 6.86525 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 9.48085 5.18617 5.68041 13.7717 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 9.48085 5.68041 5.18617 13.7717 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 7.31767 6.03987 4.51512 5.81959 7.63409 8.4666 7.6114 6.10919 5.86705 11.4877 numMergedOcc 0
13 mol 25 unq 2 iso 1 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 7.6114 5.86705 6.10919 11.4877 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 6.75943 4.96926 5.41726 4.55347 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 6.75943 5.41726 4.96926 4.55347 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 6.75943 4.96926 10.0383 4.55347 numMergedOcc 0
17 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 8.60739 11.3891 5.64171 6.75943 10.0383 4.96926 4.55347 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 6.75943 5.41726 10.0383 4.55347 numMergedOcc 0
19 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 8.60739 11.3891 9.06158 6.75943 10.0383 5.41726 4.55347 numMergedOcc 0
20 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.44459 5.73693 11.6164 9.33906 6.42339 5.1274 10.7651 numMergedOcc 0
21 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 9.44459 11.6164 5.73693 9.33906 5.1274 6.42339 10.7651 numMergedOcc 0
22 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 8.64015 11.0904 12.9211 6.56212 7.31539 11.1607 4.88345 numMergedOcc 0
23 mol 59 unq 0 iso 1 dist 9.21998 7.17396 6.05545 8.64015 12.9211 11.0904 6.56212 11.1607 7.31539 4.88345 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 7.04044 15.7304 8.26458 9.73086 17.4121 5.70116 7.8972 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 9.73086 5.70116 17.4121 7.8972 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 7.04044 15.7304 8.35241 9.73086 17.4121 14.844 7.8972 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 7.04044 8.35241 15.7304 9.73086 14.844 17.4121 7.8972 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 7.04044 8.26458 8.35241 9.73086 5.70116 14.844 7.8972 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 7.04044 8.35241 8.26458 9.73086 14.844 5.70116 7.8972 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.33422 6.82174 7.91778 7.7068 6.36397 4.41789 6.33204 numMergedOcc 0
31 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.33422 7.91778 6.82174 7.7068 4.41789 6.36397 6.33204 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.33422 6.82174 10.121 7.7068 6.36397 5.59906 6.33204 numMergedOcc 0
33 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.33422 10.121 6.82174 7.7068 5.59906 6.36397 6.33204 numMergedOcc 0
34 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.33422 7.91778 10.121 7.7068 4.41789 5.59906 6.33204 numMergedOcc 0
35 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.33422 10.121 7.91778 7.7068 5.59906 4.41789 6.33204 numMergedOcc 0
36 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 9.00544 11.8512 14.9392 7.82475 5.43561 5.9143 11.3766 numMergedOcc 0
37 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 7.82475 5.9143 5.43561 11.3766 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 9.00544 11.8512 14.9392 5.35782 6.30222 5.47563 10.5056 numMergedOcc 0
39 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 5.35782 5.47563 6.30222 10.5056 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 6.45675 7.47343 5.33144 7.12017 9.52882 12.6602 7.82475 5.43561 5.9143 13.4027 numMergedOcc 0
41 mol 100 unq 2 iso 1 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 7.82475 5.9143 5.43561 13.4027 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 6.45675 7.47343 5.33144 7.12017 9.52882 12.6602 5.35782 6.30222 5.47563 12.068 numMergedOcc 0
43 mol 100 unq 3 iso 1 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 5.35782 5.47563 6.30222 12.068 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 6.45675 8.86688 9.71151 9.00544 11.8512 9.01214 7.82475 5.43561 5.25234 11.3766 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 8.86688 6.45675 9.71151 9.00544 9.01214 11.8512 7.82475 5.25234 5.43561 11.3766 numMergedOcc 0
46 mol 100 unq 5 iso 0 dist 6.45675 8.86688 9.71151 9.00544 11.8512 9.01214 5.35782 6.30222 5.03232 10.5056 numMergedOcc 0
47 mol 100 unq 5 iso 1 dist 8.86688 6.45675 9.71151 9.00544 9.01214 11.8512 5.35782 5.03232 6.30222 10.5056 numMergedOcc 0
48 mol 100 unq 6 iso 0 dist 6.45675 8.86688 9.71151 7.12017 9.52882 14.8674 7.82475 5.43561 5.25234 13.4027 numMergedOcc 0
49 mol 100 unq 6 iso 1 dist 8.86688 6.45675 9.71151 7.12017 14.8674 9.52882 7.82475 5.25234 5.43561 13.4027 numMergedOcc 0
50 mol 100 unq 7 iso 0 dist 6.45675 8.86688 9.71151 7.12017 9.52882 14.8674 5.35782 6.30222 5.03232 12.068 numMergedOcc 0
51 mol 100 unq 7 iso 1 dist 8.86688 6.45675 9.71151 7.12017 14.8674 9.52882 5.35782 5.03232 6.30222 12.068 numMergedOcc 0
52 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 7.82475 5.9143 5.25234 11.3766 numMergedOcc 0
53 mol 100 unq 4 iso 1 dist 8.86688 7.47343 10.1407 9.00544 9.01214 14.9392 7.82475 5.25234 5.9143 11.3766 numMergedOcc 0
54 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 5.35782 5.47563 5.03232 10.5056 numMergedOcc 0
55 mol 100 unq 5 iso 1 dist 8.86688 7.47343 10.1407 9.00544 9.01214 14.9392 5.35782 5.03232 5.47563 10.5056 numMergedOcc 0
56 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 7.82475 5.9143 5.25234 13.4027 numMergedOcc 0
57 mol 100 unq 6 iso 1 dist 8.86688 7.47343 10.1407 7.12017 14.8674 12.6602 7.82475 5.25234 5.9143 13.4027 numMergedOcc 0
58 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 5.35782 5.47563 5.03232 12.068 numMergedOcc 0
59 mol 100 unq 7 iso 1 dist 8.86688 7.47343 10.1407 7.12017 14.8674 12.6602 5.35782 5.03232 5.47563 12.068 numMergedOcc 0
60 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 7.69765 10.3209 4.48636 7.27912 numMergedOcc 0
61 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 7.69765 4.48636 10.3209 7.27912 numMergedOcc 0
62 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 9.42082 15.3161 6.63111 10.5109 numMergedOcc 0
63 mol 115 unq 1 iso 1 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 9.42082 6.63111 15.3161 10.5109 numMergedOcc 0
64 mol 115 unq 2 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 7.69765 10.3209 11.835 7.27912 numMergedOcc 0
65 mol 115 unq 2 iso 1 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 7.69765 11.835 10.3209 7.27912 numMergedOcc 0
66 mol 115 unq 3 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 9.42082 15.3161 6.07067 10.5109 numMergedOcc 0
67 mol 115 unq 3 iso 1 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 9.42082 6.07067 15.3161 10.5109 numMergedOcc 0
68 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 7.69765 4.48636 11.835 7.27912 numMergedOcc 0
69 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 7.69765 11.835 4.48636 7.27912 numMergedOcc 0
70 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 9.42082 6.63111 6.07067 10.5109 numMergedOcc 0
71 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 9.42082 6.07067 6.63111 10.5109 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 7.21868 8.06642 4.00092 4.935 numMergedOcc 0
73 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 7.21868 4.00092 8.06642 4.935 numMergedOcc 0
74 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 9.17106 12.6057 8.38032 7.81207 4.67662 5.81599 9.38687 numMergedOcc 0
75 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 9.17106 8.38032 12.6057 7.81207 5.81599 4.67662 9.38687 numMergedOcc 0
76 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 9.17106 12.6057 8.38032 7.18002 13.5913 9.99555 11.093 numMergedOcc 0
77 mol 142 unq 1 iso 1 dist 7.73169 9.2313 5.50998 9.17106 8.38032 12.6057 7.18002 9.99555 13.5913 11.093 numMergedOcc 0
78 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 9.17106 12.6057 8.16815 7.81207 4.67662 11.1 9.38687 numMergedOcc 0
79 mol 142 unq 2 iso 1 dist 8.96657 9.2313 11.1395 9.17106 8.16815 12.6057 7.81207 11.1 4.67662 9.38687 numMergedOcc 0
80 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 9.17106 12.6057 8.16815 7.18002 13.5913 6.52253 11.093 numMergedOcc 0
81 mol 142 unq 3 iso 1 dist 8.96657 9.2313 11.1395 9.17106 8.16815 12.6057 7.18002 6.52253 13.5913 11.093 numMergedOcc 0
82 mol 142 unq 2 iso 0 dist 7.73169 8.96657 5.92693 9.17106 8.38032 8.16815 7.81207 5.81599 11.1 9.38687 numMergedOcc 0
83 mol 142 unq 2 iso 1 dist 8.96657 7.73169 5.92693 9.17106 8.16815 8.38032 7.81207 11.1 5.81599 9.38687 numMergedOcc 0
84 mol 142 unq 3 iso 0 dist 7.73169 8.96657 5.92693 9.17106 8.38032 8.16815 7.18002 9.99555 6.52253 11.093 numMergedOcc 0
85 mol 142 unq 3 iso 1 dist 8.96657 7.73169 5.92693 9.17106 8.16815 8.38032 7.18002 6.52253 9.99555 11.093 numMergedOcc 0
86 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 6.70693 4.94983 5.39112 4.71678 numMergedOcc 0
87 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 6.70693 5.39112 4.94983 4.71678 numMergedOcc 0
88 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 6.70693 4.94983 9.67475 4.71678 numMergedOcc 0
89 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.28642 11.2078 5.70788 6.70693 9.67475 4.94983 4.71678 numMergedOcc 0
90 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 6.70693 5.39112 9.67475 4.71678 numMergedOcc 0
91 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.28642 11.2078 9.35627 6.70693 9.67475 5.39112 4.71678 numMergedOcc 0
92 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 9.11204 8.44333 6.8202 7.79894 numMergedOcc 0
93 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 4.92088 8.27339 10.1489 9.11204 6.8202 8.44333 7.79894 numMergedOcc 0
94 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 9.11204 8.44333 14.9499 7.79894 numMergedOcc 0
95 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 4.92088 9.79302 10.1489 9.11204 14.9499 8.44333 7.79894 numMergedOcc 0
96 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 9.11204 8.44333 14.2467 7.79894 numMergedOcc 0
97 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 4.92088 8.65097 10.1489 9.11204 14.2467 8.44333 7.79894 numMergedOcc 0
98 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 4.92088 8.27339 9.79302 9.11204 6.8202 14.9499 7.79894 numMergedOcc 0
99 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 4.92088 9.79302 8.27339 9.11204 14.9499 6.8202 7.79894 numMergedOcc 0
100 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 4.92088 8.27339 8.65097 9.11204 6.8202 14.2467 7.79894 numMergedOcc 0
101 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 4.92088 8.65097 8.27339 9.11204 14.2467 6.8202 7.79894 numMergedOcc 0
102 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 4.92088 9.79302 8.65097 9.11204 14.9499 14.2467 7.79894 numMergedOcc 0
103 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 4.92088 8.65097 9.79302 9.11204 14.2467 14.9499 7.79894 numMergedOcc 0
104 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 6.85441 8.17229 5.74707 7.9133 10.7169 5.57347 9.54203 numMergedOcc 0
105 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 6.85441 5.74707 8.17229 7.9133 5.57347 10.7169 9.54203 numMergedOcc 0
106 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.38157 7.38025 9.35273 7.46481 11.4955 8.459 5.73082 numMergedOcc 0
107 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 6.38157 9.35273 7.38025 7.46481 8.459 11.4955 5.73082 numMergedOcc 0
108 mol 214 unq 1 iso 0 dist 9.65138 8.85478 4.40923 6.38157 7.38025 5.63388 7.46481 11.4955 11.1534 5.73082 numMergedOcc 0
109 mol 214 unq 1 iso 1 dist 8.85478 9.65138 4.40923 6.38157 5.63388 7.38025 7.46481 11.1534 11.4955 5.73082 numMergedOcc 0
110 mol 214 unq 1 iso 0 dist 7.14453 8.85478 11.3796 6.38157 9.35273 5.63388 7.46481 8.459 11.1534 5.73082 numMergedOcc 0
111 mol 214 unq 1 iso 1 dist 8.85478 7.14453 11.3796 6.38157 5.63388 9.35273 7.46481 11.1534 8.459 5.73082 numMergedOcc 0
112 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 8.48341 6.03524 7.60395 6.74196 8.84507 12.8595 9.0716 numMergedOcc 0
113 mol 222 unq 0 iso 1 dist 7.54212 6.00706 6.8425 8.48341 7.60395 6.03524 6.74196 12.8595 8.84507 9.0716 numMergedOcc 0
114 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 8.48341 6.03524 7.60395 8.36842 6.02502 12.5866 10.5383 numMergedOcc 0
115 mol 222 unq 1 iso 1 dist 7.54212 6.00706 6.8425 8.48341 7.60395 6.03524 8.36842 12.5866 6.02502 10.5383 numMergedOcc 0
116 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 8.48341 6.03524 7.60395 9.75472 5.18677 11.9567 8.90753 numMergedOcc 0
117 mol 222 unq 2 iso 1 dist 7.54212 6.00706 6.8425 8.48341 7.60395 6.03524 9.75472 11.9567 5.18677 8.90753 numMergedOcc 0
118 mol 223 unq 0 iso 0 dist 8.77153 8.6166 8.51421 6.13306 6.52273 7.12885 6.42257 4.04036 9.47076 4.40141 numMergedOcc 0
119 mol 223 unq 0 iso 1 dist 8.6166 8.77153 8.51421 6.13306 7.12885 6.52273 6.42257 9.47076 4.04036 4.40141 numMergedOcc 0
120 mol 223 unq 1 iso 0 dist 8.77153 8.6166 8.51421 6.13306 6.52273 7.12885 9.33543 13.1538 5.39728 9.63911 numMergedOcc 0
121 mol 223 unq 1 iso 1 dist 8.6166 8.77153 8.51421 6.13306 7.12885 6.52273 9.33543 5.39728 13.1538 9.63911 numMergedOcc 0
122 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.23634 5.0317 5.83175 7.3164 numMergedOcc 0
123 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 5.23634 5.83175 5.0317 7.3164 numMergedOcc 0
124 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 7.27993 5.70473 7.22525 6.93188 numMergedOcc 0
125 mol 229 unq 0 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 7.27993 7.22525 5.70473 6.93188 numMergedOcc 0
126 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.5366 5.63086 5.6819 7.81215 12.4252 5.75498 11.0592 numMergedOcc 0
127 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 7.5366 5.6819 5.63086 7.81215 5.75498 12.4252 11.0592 numMergedOcc 0
128 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 8.50331 7.22918 9.05842 9.3206 4.27181 4.89609 5.59363 numMergedOcc 0
129 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 8.50331 9.05842 7.22918 9.3206 4.89609 4.27181 5.59363 numMergedOcc 0
130 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 8.50331 7.22918 7.00028 9.3206 4.27181 10.5774 5.59363 numMergedOcc 0
131 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 8.50331 7.00028 7.22918 9.3206 10.5774 4.27181 5.59363 numMergedOcc 0
132 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 8.50331 9.05842 7.00028 9.3206 4.89609 10.5774 5.59363 numMergedOcc 0
133 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 8.50331 7.00028 9.05842 9.3206 10.5774 4.89609 5.59363 numMergedOcc 0
134 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 9.08509 12.7938 11.0772 6.94907 numMergedOcc 0
135 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 9.08509 11.0772 12.7938 6.94907 numMergedOcc 0
