0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 6.56335 10.454 6.70071 4.50891 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 6.56335 10.454 4.50891 6.70071 numMergedOcc 0
2 mol 16 unq 0 iso 2 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 6.56335 6.70071 10.454 4.50891 numMergedOcc 0
3 mol 16 unq 0 iso 3 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.56335 6.70071 4.50891 10.454 numMergedOcc 0
4 mol 16 unq 0 iso 4 dist 8.71745 7.63133 10.4155 5.46498 5.74188 5.32694 6.56335 4.50891 10.454 6.70071 numMergedOcc 0
5 mol 16 unq 0 iso 5 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 6.56335 4.50891 6.70071 10.454 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 6.92532 12.3486 5.18512 9.47529 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 6.92532 12.3486 9.47529 5.18512 numMergedOcc 0
8 mol 19 unq 0 iso 2 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 6.92532 5.18512 12.3486 9.47529 numMergedOcc 0
9 mol 19 unq 0 iso 3 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 6.92532 5.18512 9.47529 12.3486 numMergedOcc 0
10 mol 19 unq 0 iso 4 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 6.92532 9.47529 12.3486 5.18512 numMergedOcc 0
11 mol 19 unq 0 iso 5 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 6.92532 9.47529 5.18512 12.3486 numMergedOcc 0
12 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 numMergedOcc 0
13 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 numMergedOcc 0
14 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 numMergedOcc 0
15 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 numMergedOcc 0
16 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 numMergedOcc 0
17 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 numMergedOcc 0
18 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 numMergedOcc 0
19 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 numMergedOcc 0
20 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 numMergedOcc 0
21 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 numMergedOcc 0
22 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 numMergedOcc 0
23 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 numMergedOcc 0
24 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 numMergedOcc 0
25 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 numMergedOcc 0
26 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 numMergedOcc 0
27 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 numMergedOcc 0
28 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 numMergedOcc 0
29 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 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 7.26086 7.32662 13.4985 6.934 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 7.26086 7.32662 6.934 13.4985 numMergedOcc 0
32 mol 98 unq 0 iso 2 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 7.26086 13.4985 7.32662 6.934 numMergedOcc 0
33 mol 98 unq 0 iso 3 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 7.26086 13.4985 6.934 7.32662 numMergedOcc 0
34 mol 98 unq 0 iso 4 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 7.26086 6.934 7.32662 13.4985 numMergedOcc 0
35 mol 98 unq 0 iso 5 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 7.26086 6.934 13.4985 7.32662 numMergedOcc 0
36 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 numMergedOcc 0
37 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 numMergedOcc 0
38 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 numMergedOcc 0
39 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 numMergedOcc 0
40 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 numMergedOcc 0
41 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 numMergedOcc 0
42 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 7.12017 9.52882 12.6602 14.8674 numMergedOcc 0
43 mol 100 unq 1 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 7.12017 9.52882 14.8674 12.6602 numMergedOcc 0
44 mol 100 unq 1 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 numMergedOcc 0
45 mol 100 unq 1 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 numMergedOcc 0
46 mol 100 unq 1 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 7.12017 14.8674 9.52882 12.6602 numMergedOcc 0
47 mol 100 unq 1 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 7.12017 14.8674 12.6602 9.52882 numMergedOcc 0
48 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 numMergedOcc 0
49 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 numMergedOcc 0
50 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 numMergedOcc 0
51 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 numMergedOcc 0
52 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 numMergedOcc 0
53 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 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 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 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 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 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 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 numMergedOcc 0
60 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 numMergedOcc 0
61 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 numMergedOcc 0
62 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 numMergedOcc 0
63 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 numMergedOcc 0
64 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 numMergedOcc 0
65 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 numMergedOcc 0
66 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 8.33171 6.56229 5.64555 7.73169 5.71107 11.2067 9.44399 numMergedOcc 0
67 mol 156 unq 0 iso 1 dist 8.34702 8.33171 6.56229 9.06726 6.31306 5.64555 7.73169 5.71107 9.44399 11.2067 numMergedOcc 0
68 mol 156 unq 0 iso 2 dist 9.06726 8.34702 6.31306 8.33171 5.64555 6.56229 7.73169 11.2067 5.71107 9.44399 numMergedOcc 0
69 mol 156 unq 0 iso 3 dist 9.06726 8.33171 5.64555 8.34702 6.31306 6.56229 7.73169 11.2067 9.44399 5.71107 numMergedOcc 0
70 mol 156 unq 0 iso 4 dist 8.33171 8.34702 6.56229 9.06726 5.64555 6.31306 7.73169 9.44399 5.71107 11.2067 numMergedOcc 0
71 mol 156 unq 0 iso 5 dist 8.33171 9.06726 5.64555 8.34702 6.56229 6.31306 7.73169 9.44399 11.2067 5.71107 numMergedOcc 0
72 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 8.33171 6.56229 5.64555 5.38091 10.7023 9.00862 11.1271 numMergedOcc 0
73 mol 156 unq 1 iso 1 dist 8.34702 8.33171 6.56229 9.06726 6.31306 5.64555 5.38091 10.7023 11.1271 9.00862 numMergedOcc 0
74 mol 156 unq 1 iso 2 dist 9.06726 8.34702 6.31306 8.33171 5.64555 6.56229 5.38091 9.00862 10.7023 11.1271 numMergedOcc 0
75 mol 156 unq 1 iso 3 dist 9.06726 8.33171 5.64555 8.34702 6.31306 6.56229 5.38091 9.00862 11.1271 10.7023 numMergedOcc 0
76 mol 156 unq 1 iso 4 dist 8.33171 8.34702 6.56229 9.06726 5.64555 6.31306 5.38091 11.1271 10.7023 9.00862 numMergedOcc 0
77 mol 156 unq 1 iso 5 dist 8.33171 9.06726 5.64555 8.34702 6.56229 6.31306 5.38091 11.1271 9.00862 10.7023 numMergedOcc 0
78 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 numMergedOcc 0
79 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 numMergedOcc 0
80 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 numMergedOcc 0
81 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 numMergedOcc 0
82 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 numMergedOcc 0
83 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 numMergedOcc 0
84 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 numMergedOcc 0
85 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 numMergedOcc 0
86 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 numMergedOcc 0
87 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 numMergedOcc 0
88 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 numMergedOcc 0
89 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 numMergedOcc 0
90 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 numMergedOcc 0
91 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 numMergedOcc 0
92 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 numMergedOcc 0
93 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 numMergedOcc 0
94 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 numMergedOcc 0
95 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 numMergedOcc 0
96 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 numMergedOcc 0
97 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 numMergedOcc 0
98 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 numMergedOcc 0
99 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 numMergedOcc 0
100 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 numMergedOcc 0
101 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 numMergedOcc 0
102 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 6.51749 13.8722 5.93488 7.64267 numMergedOcc 0
103 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 6.51749 13.8722 7.64267 5.93488 numMergedOcc 0
104 mol 181 unq 0 iso 2 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.51749 5.93488 13.8722 7.64267 numMergedOcc 0
105 mol 181 unq 0 iso 3 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.51749 5.93488 7.64267 13.8722 numMergedOcc 0
106 mol 181 unq 0 iso 4 dist 9.15386 9.1374 12.1628 5.98885 5.16002 8.88798 6.51749 7.64267 13.8722 5.93488 numMergedOcc 0
107 mol 181 unq 0 iso 5 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 6.51749 7.64267 5.93488 13.8722 numMergedOcc 0
108 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 numMergedOcc 0
109 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 numMergedOcc 0
110 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 numMergedOcc 0
111 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 numMergedOcc 0
112 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 numMergedOcc 0
113 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 numMergedOcc 0
114 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 8.65997 7.60506 5.22356 8.03442 10.2525 10.5813 7.22396 numMergedOcc 0
115 mol 227 unq 0 iso 1 dist 9.34734 8.65997 7.60506 7.22101 6.99063 5.22356 8.03442 10.2525 7.22396 10.5813 numMergedOcc 0
116 mol 227 unq 0 iso 2 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 8.03442 10.5813 10.2525 7.22396 numMergedOcc 0
117 mol 227 unq 0 iso 3 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 8.03442 10.5813 7.22396 10.2525 numMergedOcc 0
118 mol 227 unq 0 iso 4 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 8.03442 7.22396 10.2525 10.5813 numMergedOcc 0
119 mol 227 unq 0 iso 5 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 8.03442 7.22396 10.5813 10.2525 numMergedOcc 0
120 mol 227 unq 1 iso 0 dist 9.34734 7.22101 6.99063 7.56888 7.43198 10.8658 8.03442 10.2525 10.5813 6.10296 numMergedOcc 0
121 mol 227 unq 1 iso 1 dist 9.34734 7.56888 7.43198 7.22101 6.99063 10.8658 8.03442 10.2525 6.10296 10.5813 numMergedOcc 0
122 mol 227 unq 1 iso 2 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 8.03442 10.5813 10.2525 6.10296 numMergedOcc 0
123 mol 227 unq 1 iso 3 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 8.03442 10.5813 6.10296 10.2525 numMergedOcc 0
124 mol 227 unq 1 iso 4 dist 7.56888 9.34734 7.43198 7.22101 10.8658 6.99063 8.03442 6.10296 10.2525 10.5813 numMergedOcc 0
125 mol 227 unq 1 iso 5 dist 7.56888 7.22101 10.8658 9.34734 7.43198 6.99063 8.03442 6.10296 10.5813 10.2525 numMergedOcc 0
126 mol 227 unq 2 iso 0 dist 9.34734 7.22101 6.99063 7.55216 9.51866 12.4689 8.03442 10.2525 10.5813 9.69537 numMergedOcc 0
127 mol 227 unq 2 iso 1 dist 9.34734 7.55216 9.51866 7.22101 6.99063 12.4689 8.03442 10.2525 9.69537 10.5813 numMergedOcc 0
128 mol 227 unq 2 iso 2 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 8.03442 10.5813 10.2525 9.69537 numMergedOcc 0
129 mol 227 unq 2 iso 3 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 8.03442 10.5813 9.69537 10.2525 numMergedOcc 0
130 mol 227 unq 2 iso 4 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 8.03442 9.69537 10.2525 10.5813 numMergedOcc 0
131 mol 227 unq 2 iso 5 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 8.03442 9.69537 10.5813 10.2525 numMergedOcc 0
132 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 7.56888 7.43198 9.70012 8.03442 10.2525 7.22396 6.10296 numMergedOcc 0
133 mol 227 unq 1 iso 1 dist 9.34734 7.56888 7.43198 8.65997 7.60506 9.70012 8.03442 10.2525 6.10296 7.22396 numMergedOcc 0
134 mol 227 unq 1 iso 2 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 8.03442 7.22396 10.2525 6.10296 numMergedOcc 0
135 mol 227 unq 1 iso 3 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 8.03442 7.22396 6.10296 10.2525 numMergedOcc 0
136 mol 227 unq 1 iso 4 dist 7.56888 9.34734 7.43198 8.65997 9.70012 7.60506 8.03442 6.10296 10.2525 7.22396 numMergedOcc 0
137 mol 227 unq 1 iso 5 dist 7.56888 8.65997 9.70012 9.34734 7.43198 7.60506 8.03442 6.10296 7.22396 10.2525 numMergedOcc 0
138 mol 227 unq 2 iso 0 dist 9.34734 8.65997 7.60506 7.55216 9.51866 12.9332 8.03442 10.2525 7.22396 9.69537 numMergedOcc 0
139 mol 227 unq 2 iso 1 dist 9.34734 7.55216 9.51866 8.65997 7.60506 12.9332 8.03442 10.2525 9.69537 7.22396 numMergedOcc 0
140 mol 227 unq 2 iso 2 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 8.03442 7.22396 10.2525 9.69537 numMergedOcc 0
141 mol 227 unq 2 iso 3 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 8.03442 7.22396 9.69537 10.2525 numMergedOcc 0
142 mol 227 unq 2 iso 4 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 8.03442 9.69537 10.2525 7.22396 numMergedOcc 0
143 mol 227 unq 2 iso 5 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 8.03442 9.69537 7.22396 10.2525 numMergedOcc 0
144 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 7.55216 9.51866 4.48529 8.03442 10.2525 6.10296 9.69537 numMergedOcc 0
145 mol 227 unq 2 iso 1 dist 9.34734 7.55216 9.51866 7.56888 7.43198 4.48529 8.03442 10.2525 9.69537 6.10296 numMergedOcc 0
146 mol 227 unq 2 iso 2 dist 7.56888 9.34734 7.43198 7.55216 4.48529 9.51866 8.03442 6.10296 10.2525 9.69537 numMergedOcc 0
147 mol 227 unq 2 iso 3 dist 7.56888 7.55216 4.48529 9.34734 7.43198 9.51866 8.03442 6.10296 9.69537 10.2525 numMergedOcc 0
148 mol 227 unq 2 iso 4 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 8.03442 9.69537 10.2525 6.10296 numMergedOcc 0
149 mol 227 unq 2 iso 5 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 8.03442 9.69537 6.10296 10.2525 numMergedOcc 0
150 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 8.03442 10.5813 7.22396 6.10296 numMergedOcc 0
151 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 8.03442 10.5813 6.10296 7.22396 numMergedOcc 0
152 mol 227 unq 1 iso 2 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 8.03442 7.22396 10.5813 6.10296 numMergedOcc 0
153 mol 227 unq 1 iso 3 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 8.03442 7.22396 6.10296 10.5813 numMergedOcc 0
154 mol 227 unq 1 iso 4 dist 7.56888 7.22101 10.8658 8.65997 9.70012 5.22356 8.03442 6.10296 10.5813 7.22396 numMergedOcc 0
155 mol 227 unq 1 iso 5 dist 7.56888 8.65997 9.70012 7.22101 10.8658 5.22356 8.03442 6.10296 7.22396 10.5813 numMergedOcc 0
156 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 8.03442 10.5813 7.22396 9.69537 numMergedOcc 0
157 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 8.03442 10.5813 9.69537 7.22396 numMergedOcc 0
158 mol 227 unq 2 iso 2 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 8.03442 7.22396 10.5813 9.69537 numMergedOcc 0
159 mol 227 unq 2 iso 3 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 8.03442 7.22396 9.69537 10.5813 numMergedOcc 0
160 mol 227 unq 2 iso 4 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 8.03442 9.69537 10.5813 7.22396 numMergedOcc 0
161 mol 227 unq 2 iso 5 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 8.03442 9.69537 7.22396 10.5813 numMergedOcc 0
162 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 8.03442 10.5813 6.10296 9.69537 numMergedOcc 0
163 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 8.03442 10.5813 9.69537 6.10296 numMergedOcc 0
164 mol 227 unq 2 iso 2 dist 7.56888 7.22101 10.8658 7.55216 4.48529 12.4689 8.03442 6.10296 10.5813 9.69537 numMergedOcc 0
165 mol 227 unq 2 iso 3 dist 7.56888 7.55216 4.48529 7.22101 10.8658 12.4689 8.03442 6.10296 9.69537 10.5813 numMergedOcc 0
166 mol 227 unq 2 iso 4 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 8.03442 9.69537 10.5813 6.10296 numMergedOcc 0
167 mol 227 unq 2 iso 5 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 8.03442 9.69537 6.10296 10.5813 numMergedOcc 0
168 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 8.03442 7.22396 6.10296 9.69537 numMergedOcc 0
169 mol 227 unq 2 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 8.03442 7.22396 9.69537 6.10296 numMergedOcc 0
170 mol 227 unq 2 iso 2 dist 7.56888 8.65997 9.70012 7.55216 4.48529 12.9332 8.03442 6.10296 7.22396 9.69537 numMergedOcc 0
171 mol 227 unq 2 iso 3 dist 7.56888 7.55216 4.48529 8.65997 9.70012 12.9332 8.03442 6.10296 9.69537 7.22396 numMergedOcc 0
172 mol 227 unq 2 iso 4 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 8.03442 9.69537 7.22396 6.10296 numMergedOcc 0
173 mol 227 unq 2 iso 5 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 8.03442 9.69537 6.10296 7.22396 numMergedOcc 0
174 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 9.36357 12.1694 7.82322 8.24186 11.7705 5.63086 5.6819 numMergedOcc 0
175 mol 234 unq 0 iso 1 dist 8.34494 9.36357 12.1694 6.56247 6.29886 7.82322 8.24186 11.7705 5.6819 5.63086 numMergedOcc 0
176 mol 234 unq 0 iso 2 dist 6.56247 8.34494 6.29886 9.36357 7.82322 12.1694 8.24186 5.63086 11.7705 5.6819 numMergedOcc 0
177 mol 234 unq 0 iso 3 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 8.24186 5.63086 5.6819 11.7705 numMergedOcc 0
178 mol 234 unq 0 iso 4 dist 9.36357 8.34494 12.1694 6.56247 7.82322 6.29886 8.24186 5.6819 11.7705 5.63086 numMergedOcc 0
179 mol 234 unq 0 iso 5 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 8.24186 5.6819 5.63086 11.7705 numMergedOcc 0
180 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 numMergedOcc 0
181 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 numMergedOcc 0
182 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 numMergedOcc 0
183 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 numMergedOcc 0
184 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 numMergedOcc 0
185 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 numMergedOcc 0
186 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 7.50201 11.056 5.23748 7.63376 numMergedOcc 0
187 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 7.50201 11.056 7.63376 5.23748 numMergedOcc 0
188 mol 252 unq 0 iso 2 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 7.50201 5.23748 11.056 7.63376 numMergedOcc 0
189 mol 252 unq 0 iso 3 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 7.50201 5.23748 7.63376 11.056 numMergedOcc 0
190 mol 252 unq 0 iso 4 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 7.50201 7.63376 11.056 5.23748 numMergedOcc 0
191 mol 252 unq 0 iso 5 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 7.50201 7.63376 5.23748 11.056 numMergedOcc 0
