0 mol 0 unq 0 iso 0 dist 7.37981 12.7599 9.6994 13.3337 7.15528 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.37981 13.3337 7.15528 12.7599 9.6994 7.19817 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.19621 9.95 9.6994 6.83587 7.15528 7.19817 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 6.83587 7.15528 9.95 9.6994 7.19817 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 5.45161 6.31718 6.92781 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 8.33883 5.45161 6.31718 5.38671 5.05803 6.92781 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 5.84479 5.35079 6.31718 6.53177 7.63133 10.8455 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 5.84479 6.53177 7.63133 5.35079 6.31718 10.8455 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 numMergedOcc 0
10 mol 38 unq 0 iso 0 dist 9.23576 7.35595 7.50293 8.59794 9.91611 5.79773 numMergedOcc 0
11 mol 38 unq 0 iso 1 dist 9.23576 8.59794 9.91611 7.35595 7.50293 5.79773 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 14.445 6.20293 8.13395 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 9.74445 14.445 6.20293 10.323 8.80331 8.13395 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 10.3564 6.83299 5.08001 numMergedOcc 0
15 mol 54 unq 0 iso 1 dist 6.59893 10.3564 6.83299 11.9881 9.5589 5.08001 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 6.59893 11.9881 9.5589 12.4254 8.10861 16.3192 numMergedOcc 0
17 mol 54 unq 1 iso 1 dist 6.59893 12.4254 8.10861 11.9881 9.5589 16.3192 numMergedOcc 0
18 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 12.4254 8.10861 14.2075 numMergedOcc 0
19 mol 54 unq 1 iso 1 dist 6.59893 12.4254 8.10861 10.3564 6.83299 14.2075 numMergedOcc 0
20 mol 54 unq 2 iso 0 dist 5.59773 13.9079 9.5589 10.4238 6.83299 5.08001 numMergedOcc 0
21 mol 54 unq 2 iso 1 dist 5.59773 10.4238 6.83299 13.9079 9.5589 5.08001 numMergedOcc 0
22 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 10.1356 8.10861 16.3192 numMergedOcc 0
23 mol 54 unq 3 iso 1 dist 5.59773 10.1356 8.10861 13.9079 9.5589 16.3192 numMergedOcc 0
24 mol 54 unq 3 iso 0 dist 5.59773 10.4238 6.83299 10.1356 8.10861 14.2075 numMergedOcc 0
25 mol 54 unq 3 iso 1 dist 5.59773 10.1356 8.10861 10.4238 6.83299 14.2075 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 5.30842 9.21998 6.05545 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 6.48625 5.30842 9.21998 6.34264 7.17396 6.05545 numMergedOcc 0
28 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9885 9.25011 4.73512 numMergedOcc 0
29 mol 60 unq 0 iso 1 dist 5.83937 10.9885 9.25011 6.62193 6.65595 4.73512 numMergedOcc 0
30 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 9.96073 6.43294 10.6819 numMergedOcc 0
31 mol 60 unq 1 iso 1 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 numMergedOcc 0
32 mol 60 unq 2 iso 0 dist 5.83937 6.62193 6.65595 11.2445 8.52121 8.93946 numMergedOcc 0
33 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 6.62193 6.65595 8.93946 numMergedOcc 0
34 mol 60 unq 1 iso 0 dist 5.83937 10.9885 9.25011 9.96073 6.43294 11.3621 numMergedOcc 0
35 mol 60 unq 1 iso 1 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 numMergedOcc 0
36 mol 60 unq 2 iso 0 dist 5.83937 10.9885 9.25011 11.2445 8.52121 7.66664 numMergedOcc 0
37 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 10.9885 9.25011 7.66664 numMergedOcc 0
38 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 numMergedOcc 0
39 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 9.96073 6.43294 5.51199 numMergedOcc 0
40 mol 60 unq 3 iso 0 dist 8.82095 5.63638 6.65595 5.95814 9.25011 4.73512 numMergedOcc 0
41 mol 60 unq 3 iso 1 dist 8.82095 5.95814 9.25011 5.63638 6.65595 4.73512 numMergedOcc 0
42 mol 60 unq 4 iso 0 dist 8.82095 5.63638 6.65595 13.6099 6.43294 10.6819 numMergedOcc 0
43 mol 60 unq 4 iso 1 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 numMergedOcc 0
44 mol 60 unq 5 iso 0 dist 8.82095 5.63638 6.65595 12.0142 8.52121 8.93946 numMergedOcc 0
45 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 5.63638 6.65595 8.93946 numMergedOcc 0
46 mol 60 unq 4 iso 0 dist 8.82095 5.95814 9.25011 13.6099 6.43294 11.3621 numMergedOcc 0
47 mol 60 unq 4 iso 1 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 numMergedOcc 0
48 mol 60 unq 5 iso 0 dist 8.82095 5.95814 9.25011 12.0142 8.52121 7.66664 numMergedOcc 0
49 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 5.95814 9.25011 7.66664 numMergedOcc 0
50 mol 60 unq 5 iso 0 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 numMergedOcc 0
51 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 13.6099 6.43294 5.51199 numMergedOcc 0
52 mol 61 unq 0 iso 0 dist 9.62468 10.7369 6.65721 11.5608 6.72123 6.86346 numMergedOcc 0
53 mol 61 unq 0 iso 1 dist 9.62468 11.5608 6.72123 10.7369 6.65721 6.86346 numMergedOcc 0
54 mol 61 unq 1 iso 0 dist 5.92705 5.4671 6.65721 10.1513 6.72123 6.86346 numMergedOcc 0
55 mol 61 unq 1 iso 1 dist 5.92705 10.1513 6.72123 5.4671 6.65721 6.86346 numMergedOcc 0
56 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 numMergedOcc 0
57 mol 73 unq 0 iso 1 dist 6.89722 5.2774 6.19304 10.4716 9.96396 5.4148 numMergedOcc 0
58 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 numMergedOcc 0
59 mol 73 unq 1 iso 1 dist 6.89722 13.9156 8.70481 10.4716 9.96396 14.9342 numMergedOcc 0
60 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 13.9156 8.70481 13.3558 numMergedOcc 0
61 mol 73 unq 1 iso 1 dist 6.89722 13.9156 8.70481 5.2774 6.19304 13.3558 numMergedOcc 0
62 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 numMergedOcc 0
63 mol 73 unq 2 iso 1 dist 7.26679 5.44275 6.19304 8.31041 9.96396 5.4148 numMergedOcc 0
64 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 numMergedOcc 0
65 mol 73 unq 3 iso 1 dist 7.26679 11.2674 8.70481 8.31041 9.96396 14.9342 numMergedOcc 0
66 mol 73 unq 3 iso 0 dist 7.26679 5.44275 6.19304 11.2674 8.70481 13.3558 numMergedOcc 0
67 mol 73 unq 3 iso 1 dist 7.26679 11.2674 8.70481 5.44275 6.19304 13.3558 numMergedOcc 0
68 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 5.50764 6.82344 8.95922 numMergedOcc 0
69 mol 92 unq 0 iso 1 dist 4.98104 5.50764 6.82344 10.7572 7.4729 8.95922 numMergedOcc 0
70 mol 95 unq 0 iso 0 dist 8.54906 6.6292 7.88289 12.3193 9.01083 8.18643 numMergedOcc 0
71 mol 95 unq 0 iso 1 dist 8.54906 12.3193 9.01083 6.6292 7.88289 8.18643 numMergedOcc 0
72 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 6.38057 7.45389 7.05226 numMergedOcc 0
73 mol 112 unq 0 iso 1 dist 6.85381 6.38057 7.45389 12.5148 9.60462 7.05226 numMergedOcc 0
74 mol 117 unq 0 iso 0 dist 7.70533 6.29427 9.84395 14.3476 7.90328 13.1058 numMergedOcc 0
75 mol 117 unq 0 iso 1 dist 7.70533 14.3476 7.90328 6.29427 9.84395 13.1058 numMergedOcc 0
76 mol 117 unq 1 iso 0 dist 9.85576 10.4589 7.90328 14.2649 7.83136 7.22206 numMergedOcc 0
77 mol 117 unq 1 iso 1 dist 9.85576 14.2649 7.83136 10.4589 7.90328 7.22206 numMergedOcc 0
78 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 9.53886 7.0603 9.3584 numMergedOcc 0
79 mol 117 unq 2 iso 1 dist 9.85576 9.53886 7.0603 10.4589 7.90328 9.3584 numMergedOcc 0
80 mol 117 unq 2 iso 0 dist 9.85576 14.2649 7.83136 9.53886 7.0603 7.21564 numMergedOcc 0
81 mol 117 unq 2 iso 1 dist 9.85576 9.53886 7.0603 14.2649 7.83136 7.21564 numMergedOcc 0
82 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 11.1611 6.82262 5.61668 numMergedOcc 0
83 mol 133 unq 0 iso 1 dist 9.4473 11.1611 6.82262 15.4455 8.22656 5.61668 numMergedOcc 0
84 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 numMergedOcc 0
85 mol 142 unq 0 iso 1 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 numMergedOcc 0
86 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 numMergedOcc 0
87 mol 142 unq 1 iso 1 dist 7.57458 14.2067 8.96657 13.1936 9.2313 11.1395 numMergedOcc 0
88 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 numMergedOcc 0
89 mol 142 unq 1 iso 1 dist 7.57458 14.2067 8.96657 12.288 7.73169 5.92693 numMergedOcc 0
90 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 13.9994 6.70283 7.65448 numMergedOcc 0
91 mol 152 unq 0 iso 1 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 numMergedOcc 0
92 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 14.2552 7.16148 10.6875 numMergedOcc 0
93 mol 152 unq 1 iso 1 dist 9.10619 14.2552 7.16148 9.66339 8.56324 10.6875 numMergedOcc 0
94 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 numMergedOcc 0
95 mol 152 unq 1 iso 1 dist 9.10619 14.2552 7.16148 13.9994 6.70283 5.49936 numMergedOcc 0
96 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 7.26476 8.05741 5.49936 numMergedOcc 0
97 mol 152 unq 2 iso 1 dist 9.74498 7.26476 8.05741 10.7816 8.67331 5.49936 numMergedOcc 0
98 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 5.75141 8.94056 5.56175 numMergedOcc 0
99 mol 156 unq 0 iso 1 dist 7.30021 5.75141 8.94056 5.0966 7.44554 5.56175 numMergedOcc 0
100 mol 156 unq 1 iso 0 dist 7.30021 5.0966 7.44554 12.865 9.83699 8.38403 numMergedOcc 0
101 mol 156 unq 1 iso 1 dist 7.30021 12.865 9.83699 5.0966 7.44554 8.38403 numMergedOcc 0
102 mol 156 unq 1 iso 0 dist 7.30021 5.75141 8.94056 12.865 9.83699 11.2719 numMergedOcc 0
103 mol 156 unq 1 iso 1 dist 7.30021 12.865 9.83699 5.75141 8.94056 11.2719 numMergedOcc 0
104 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 5.50014 5.6234 6.2715 numMergedOcc 0
105 mol 175 unq 0 iso 1 dist 8.69888 5.50014 5.6234 11.5099 9.0018 6.2715 numMergedOcc 0
106 mol 175 unq 1 iso 0 dist 8.69888 11.5099 9.0018 7.39186 6.57069 8.16421 numMergedOcc 0
107 mol 175 unq 1 iso 1 dist 8.69888 7.39186 6.57069 11.5099 9.0018 8.16421 numMergedOcc 0
108 mol 175 unq 1 iso 0 dist 8.69888 5.50014 5.6234 7.39186 6.57069 5.35493 numMergedOcc 0
109 mol 175 unq 1 iso 1 dist 8.69888 7.39186 6.57069 5.50014 5.6234 5.35493 numMergedOcc 0
110 mol 175 unq 2 iso 0 dist 5.08206 12.1783 9.0018 7.28617 5.6234 6.2715 numMergedOcc 0
111 mol 175 unq 2 iso 1 dist 5.08206 7.28617 5.6234 12.1783 9.0018 6.2715 numMergedOcc 0
112 mol 175 unq 3 iso 0 dist 5.08206 12.1783 9.0018 5.77256 6.57069 8.16421 numMergedOcc 0
113 mol 175 unq 3 iso 1 dist 5.08206 5.77256 6.57069 12.1783 9.0018 8.16421 numMergedOcc 0
114 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 5.77256 6.57069 5.35493 numMergedOcc 0
115 mol 175 unq 3 iso 1 dist 5.08206 5.77256 6.57069 7.28617 5.6234 5.35493 numMergedOcc 0
116 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 12.4338 6.43573 5.34677 numMergedOcc 0
117 mol 178 unq 0 iso 1 dist 8.0974 12.4338 6.43573 12.2822 6.69288 5.34677 numMergedOcc 0
118 mol 178 unq 1 iso 0 dist 8.0974 12.2822 6.69288 13.9722 7.17202 11.7381 numMergedOcc 0
119 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.2822 6.69288 11.7381 numMergedOcc 0
120 mol 178 unq 2 iso 0 dist 8.0974 12.2822 6.69288 13.5599 8.81551 14.0703 numMergedOcc 0
121 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.2822 6.69288 14.0703 numMergedOcc 0
122 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 13.9722 7.17202 9.89739 numMergedOcc 0
123 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.4338 6.43573 9.89739 numMergedOcc 0
124 mol 178 unq 2 iso 0 dist 8.0974 12.4338 6.43573 13.5599 8.81551 10.5529 numMergedOcc 0
125 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.4338 6.43573 10.5529 numMergedOcc 0
126 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 13.5599 8.81551 5.18005 numMergedOcc 0
127 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 13.9722 7.17202 5.18005 numMergedOcc 0
128 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 10.6123 7.45763 11.8283 numMergedOcc 0
129 mol 205 unq 0 iso 1 dist 8.43584 10.6123 7.45763 12.4616 9.61492 11.8283 numMergedOcc 0
130 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 11.832 7.14453 9.10746 numMergedOcc 0
131 mol 214 unq 0 iso 1 dist 8.49704 11.832 7.14453 12.4611 9.65138 9.10746 numMergedOcc 0
132 mol 214 unq 1 iso 0 dist 8.49704 12.4611 9.65138 10.644 8.85478 4.40923 numMergedOcc 0
133 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 12.4611 9.65138 4.40923 numMergedOcc 0
134 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 10.644 8.85478 11.3796 numMergedOcc 0
135 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 11.832 7.14453 11.3796 numMergedOcc 0
136 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 9.52692 8.24498 10.5449 numMergedOcc 0
137 mol 220 unq 0 iso 1 dist 7.31105 9.52692 8.24498 14.6296 9.23153 10.5449 numMergedOcc 0
138 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 numMergedOcc 0
139 mol 222 unq 0 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 numMergedOcc 0
140 mol 224 unq 0 iso 0 dist 9.33771 5.41021 8.95269 4.91322 6.57273 4.70378 numMergedOcc 0
141 mol 224 unq 0 iso 1 dist 9.33771 4.91322 6.57273 5.41021 8.95269 4.70378 numMergedOcc 0
142 mol 224 unq 1 iso 0 dist 9.33771 5.41021 8.95269 12.979 5.78342 11.5372 numMergedOcc 0
143 mol 224 unq 1 iso 1 dist 9.33771 12.979 5.78342 5.41021 8.95269 11.5372 numMergedOcc 0
144 mol 224 unq 1 iso 0 dist 9.33771 4.91322 6.57273 12.979 5.78342 8.49799 numMergedOcc 0
145 mol 224 unq 1 iso 1 dist 9.33771 12.979 5.78342 4.91322 6.57273 8.49799 numMergedOcc 0
146 mol 224 unq 2 iso 0 dist 7.39839 7.65225 6.65832 4.91322 6.60589 6.77699 numMergedOcc 0
147 mol 224 unq 2 iso 1 dist 7.39839 4.91322 6.60589 7.65225 6.65832 6.77699 numMergedOcc 0
148 mol 224 unq 3 iso 0 dist 7.39839 7.65225 6.65832 12.979 9.16166 11.328 numMergedOcc 0
149 mol 224 unq 3 iso 1 dist 7.39839 12.979 9.16166 7.65225 6.65832 11.328 numMergedOcc 0
150 mol 224 unq 3 iso 0 dist 7.39839 4.91322 6.60589 12.979 9.16166 8.49799 numMergedOcc 0
151 mol 224 unq 3 iso 1 dist 7.39839 12.979 9.16166 4.91322 6.60589 8.49799 numMergedOcc 0
152 mol 224 unq 4 iso 0 dist 9.79616 5.63485 6.57273 9.36962 6.60589 5.0744 numMergedOcc 0
153 mol 224 unq 4 iso 1 dist 9.79616 9.36962 6.60589 5.63485 6.57273 5.0744 numMergedOcc 0
154 mol 224 unq 5 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 numMergedOcc 0
155 mol 224 unq 5 iso 1 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 numMergedOcc 0
156 mol 224 unq 6 iso 0 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 numMergedOcc 0
157 mol 224 unq 6 iso 1 dist 9.29703 6.38066 5.81334 4.8786 5.78342 5.60236 numMergedOcc 0
158 mol 224 unq 6 iso 0 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 numMergedOcc 0
159 mol 224 unq 6 iso 1 dist 9.29703 6.38066 5.81334 7.18448 9.16166 6.91102 numMergedOcc 0
160 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 14.9329 7.22101 6.99063 numMergedOcc 0
161 mol 227 unq 0 iso 1 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 numMergedOcc 0
162 mol 227 unq 1 iso 0 dist 9.17826 16.2594 9.34734 13.2783 8.65997 7.60506 numMergedOcc 0
163 mol 227 unq 1 iso 1 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 numMergedOcc 0
164 mol 227 unq 2 iso 0 dist 9.17826 16.2594 9.34734 10.6504 7.56888 7.43198 numMergedOcc 0
165 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 16.2594 9.34734 7.43198 numMergedOcc 0
166 mol 227 unq 3 iso 0 dist 9.17826 16.2594 9.34734 11.4528 7.55216 9.51866 numMergedOcc 0
167 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 numMergedOcc 0
168 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 numMergedOcc 0
169 mol 227 unq 1 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 numMergedOcc 0
170 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 numMergedOcc 0
171 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 14.9329 7.22101 10.8658 numMergedOcc 0
172 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 numMergedOcc 0
173 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 numMergedOcc 0
174 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 numMergedOcc 0
175 mol 227 unq 2 iso 1 dist 9.17826 10.6504 7.56888 13.2783 8.65997 9.70012 numMergedOcc 0
176 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 numMergedOcc 0
177 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 numMergedOcc 0
178 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 11.4528 7.55216 4.48529 numMergedOcc 0
179 mol 227 unq 3 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 numMergedOcc 0
180 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 6.16697 9.45496 5.88703 numMergedOcc 0
181 mol 234 unq 0 iso 1 dist 5.89084 6.16697 9.45496 4.74041 6.56247 5.88703 numMergedOcc 0
182 mol 234 unq 1 iso 0 dist 8.47009 4.74041 9.36357 6.16697 6.7625 5.88703 numMergedOcc 0
183 mol 234 unq 1 iso 1 dist 8.47009 6.16697 6.7625 4.74041 9.36357 5.88703 numMergedOcc 0
184 mol 234 unq 2 iso 0 dist 5.00515 5.16023 8.41436 10.2063 8.92474 8.62358 numMergedOcc 0
185 mol 234 unq 2 iso 1 dist 5.00515 10.2063 8.92474 5.16023 8.41436 8.62358 numMergedOcc 0
186 mol 236 unq 0 iso 0 dist 8.77254 5.74377 8.04248 10.054 8.35971 7.43758 numMergedOcc 0
187 mol 236 unq 0 iso 1 dist 8.77254 10.054 8.35971 5.74377 8.04248 7.43758 numMergedOcc 0
188 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 6.33032 7.21521 5.55137 numMergedOcc 0
189 mol 248 unq 0 iso 1 dist 8.71859 6.33032 7.21521 4.53213 7.69895 5.55137 numMergedOcc 0
190 mol 248 unq 1 iso 0 dist 8.71859 4.53213 7.69895 11.762 8.2965 10.8081 numMergedOcc 0
191 mol 248 unq 1 iso 1 dist 8.71859 11.762 8.2965 4.53213 7.69895 10.8081 numMergedOcc 0
192 mol 248 unq 1 iso 0 dist 8.71859 6.33032 7.21521 11.762 8.2965 5.86196 numMergedOcc 0
193 mol 248 unq 1 iso 1 dist 8.71859 11.762 8.2965 6.33032 7.21521 5.86196 numMergedOcc 0
194 mol 249 unq 0 iso 0 dist 7.29898 6.6173 7.57994 8.95486 6.18582 5.01979 numMergedOcc 0
195 mol 249 unq 0 iso 1 dist 7.29898 8.95486 6.18582 6.6173 7.57994 5.01979 numMergedOcc 0
196 mol 249 unq 1 iso 0 dist 8.91685 5.25611 7.57994 9.66184 6.18582 5.01979 numMergedOcc 0
197 mol 249 unq 1 iso 1 dist 8.91685 9.66184 6.18582 5.25611 7.57994 5.01979 numMergedOcc 0
198 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 12.5855 9.2288 8.41807 numMergedOcc 0
199 mol 252 unq 0 iso 1 dist 9.73021 12.5855 9.2288 16.5881 8.33025 8.41807 numMergedOcc 0
200 mol 252 unq 1 iso 0 dist 9.73021 16.5881 8.33025 5.26867 7.19638 14.9102 numMergedOcc 0
201 mol 252 unq 1 iso 1 dist 9.73021 5.26867 7.19638 16.5881 8.33025 14.9102 numMergedOcc 0
202 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 5.26867 7.19638 11.7918 numMergedOcc 0
203 mol 252 unq 1 iso 1 dist 9.73021 5.26867 7.19638 12.5855 9.2288 11.7918 numMergedOcc 0
204 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 9.22664 6.42289 7.26417 numMergedOcc 0
205 mol 258 unq 0 iso 1 dist 8.58088 9.22664 6.42289 10.221 6.60405 7.26417 numMergedOcc 0
206 mol 259 unq 0 iso 0 dist 6.77279 7.55268 8.53687 5.71237 8.13497 10.582 numMergedOcc 0
207 mol 259 unq 0 iso 1 dist 6.77279 5.71237 8.13497 7.55268 8.53687 10.582 numMergedOcc 0
208 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 numMergedOcc 0
209 mol 259 unq 1 iso 1 dist 9.58006 9.10984 7.84554 5.71237 7.88519 4.86771 numMergedOcc 0
210 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 numMergedOcc 0
211 mol 259 unq 2 iso 1 dist 9.58006 11.8501 7.46176 5.71237 7.88519 6.96053 numMergedOcc 0
212 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 numMergedOcc 0
213 mol 259 unq 3 iso 1 dist 9.58006 13.9868 9.18903 5.71237 7.88519 10.4881 numMergedOcc 0
214 mol 259 unq 2 iso 0 dist 9.58006 9.10984 7.84554 11.8501 7.46176 7.64658 numMergedOcc 0
215 mol 259 unq 2 iso 1 dist 9.58006 11.8501 7.46176 9.10984 7.84554 7.64658 numMergedOcc 0
216 mol 259 unq 3 iso 0 dist 9.58006 9.10984 7.84554 13.9868 9.18903 5.87173 numMergedOcc 0
217 mol 259 unq 3 iso 1 dist 9.58006 13.9868 9.18903 9.10984 7.84554 5.87173 numMergedOcc 0
218 mol 259 unq 3 iso 0 dist 9.58006 11.8501 7.46176 13.9868 9.18903 10.5239 numMergedOcc 0
219 mol 259 unq 3 iso 1 dist 9.58006 13.9868 9.18903 11.8501 7.46176 10.5239 numMergedOcc 0
220 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 6.72149 8.46116 8.12676 numMergedOcc 0
221 mol 272 unq 0 iso 1 dist 9.1118 6.72149 8.46116 11.082 9.97651 8.12676 numMergedOcc 0
222 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.1874 8.49997 6.33073 numMergedOcc 0
223 mol 274 unq 0 iso 1 dist 9.696 5.1874 8.49997 10.7962 7.56915 6.33073 numMergedOcc 0
224 mol 276 unq 0 iso 0 dist 9.05218 5.72513 9.8993 8.86096 6.87396 6.88557 numMergedOcc 0
225 mol 276 unq 0 iso 1 dist 9.05218 8.86096 6.87396 5.72513 9.8993 6.88557 numMergedOcc 0
226 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 4.58403 8.76532 10.0156 numMergedOcc 0
227 mol 282 unq 0 iso 1 dist 5.67266 4.58403 8.76532 9.63727 8.04483 10.0156 numMergedOcc 0
228 mol 282 unq 1 iso 0 dist 5.67266 9.63727 8.04483 5.04235 6.33524 5.39891 numMergedOcc 0
229 mol 282 unq 1 iso 1 dist 5.67266 5.04235 6.33524 9.63727 8.04483 5.39891 numMergedOcc 0
230 mol 282 unq 1 iso 0 dist 5.67266 4.58403 8.76532 5.04235 6.33524 4.66602 numMergedOcc 0
231 mol 282 unq 1 iso 1 dist 5.67266 5.04235 6.33524 4.58403 8.76532 4.66602 numMergedOcc 0
232 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 10.5698 8.76532 10.0156 numMergedOcc 0
233 mol 282 unq 2 iso 1 dist 5.80981 10.5698 8.76532 9.60898 8.04483 10.0156 numMergedOcc 0
234 mol 282 unq 3 iso 0 dist 5.80981 9.60898 8.04483 8.37652 6.33524 5.39891 numMergedOcc 0
235 mol 282 unq 3 iso 1 dist 5.80981 8.37652 6.33524 9.60898 8.04483 5.39891 numMergedOcc 0
236 mol 282 unq 3 iso 0 dist 5.80981 10.5698 8.76532 8.37652 6.33524 4.66602 numMergedOcc 0
237 mol 282 unq 3 iso 1 dist 5.80981 8.37652 6.33524 10.5698 8.76532 4.66602 numMergedOcc 0
238 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 13.108 8.76532 10.0156 numMergedOcc 0
239 mol 282 unq 4 iso 1 dist 9.63346 13.108 8.76532 4.85461 8.04483 10.0156 numMergedOcc 0
240 mol 282 unq 5 iso 0 dist 9.63346 4.85461 8.04483 8.85797 6.33524 5.39891 numMergedOcc 0
241 mol 282 unq 5 iso 1 dist 9.63346 8.85797 6.33524 4.85461 8.04483 5.39891 numMergedOcc 0
242 mol 282 unq 5 iso 0 dist 9.63346 13.108 8.76532 8.85797 6.33524 4.66602 numMergedOcc 0
243 mol 282 unq 5 iso 1 dist 9.63346 8.85797 6.33524 13.108 8.76532 4.66602 numMergedOcc 0
