0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 9.05357 13.1949 10.3122 9.95274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 8.09311 11.6226 6.17155 9.95274 numMergedOcc 0
2 mol 24 unq 0 iso 2 dist 8.38394 8.86116 6.44287 8.09311 6.17155 11.6226 9.05357 10.3122 13.1949 9.95274 numMergedOcc 0
3 mol 24 unq 0 iso 3 dist 8.38394 8.86116 6.44287 9.05357 10.3122 13.1949 8.09311 6.17155 11.6226 9.95274 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 4.79873 10.2864 11.4148 9.48085 5.18617 5.68041 12.7147 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 4.79873 10.2864 11.4148 12.7147 numMergedOcc 0
6 mol 25 unq 0 iso 2 dist 7.17969 7.57578 4.33106 4.79873 11.4148 10.2864 9.48085 5.68041 5.18617 12.7147 numMergedOcc 0
7 mol 25 unq 0 iso 3 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 4.79873 11.4148 10.2864 12.7147 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 9.10345 13.4212 11.6634 9.20237 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 9.96708 9.78528 8.24309 9.10345 13.4212 11.6634 9.55118 5.69391 9.78221 9.20237 numMergedOcc 0
10 mol 72 unq 0 iso 2 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 9.10345 11.6634 13.4212 9.20237 numMergedOcc 0
11 mol 72 unq 0 iso 3 dist 9.78528 9.96708 8.24309 9.10345 11.6634 13.4212 9.55118 9.78221 5.69391 9.20237 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.27724 8.03644 8.41707 9.3948 3.94537 11.3215 9.74607 6.12605 5.06946 8.00584 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 7.27724 8.03644 8.41707 9.74607 6.12605 5.06946 9.3948 3.94537 11.3215 8.00584 numMergedOcc 0
14 mol 95 unq 0 iso 2 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 9.74607 5.06946 6.12605 8.00584 numMergedOcc 0
15 mol 95 unq 0 iso 3 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 9.3948 11.3215 3.94537 8.00584 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.03572 8.83255 6.59319 8.27883 4.99174 8.67311 5.75428 4.46005 3.94293 6.27231 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 9.03572 8.83255 6.59319 5.75428 4.46005 3.94293 8.27883 4.99174 8.67311 6.27231 numMergedOcc 0
18 mol 95 unq 1 iso 2 dist 8.83255 9.03572 6.59319 8.27883 8.67311 4.99174 5.75428 3.94293 4.46005 6.27231 numMergedOcc 0
19 mol 95 unq 1 iso 3 dist 8.83255 9.03572 6.59319 5.75428 3.94293 4.46005 8.27883 8.67311 4.99174 6.27231 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 9.03572 8.83255 6.59319 8.27883 4.99174 8.67311 8.57395 8.28518 9.22202 11.734 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 9.03572 8.83255 6.59319 8.57395 8.28518 9.22202 8.27883 4.99174 8.67311 11.734 numMergedOcc 0
22 mol 95 unq 2 iso 2 dist 8.83255 9.03572 6.59319 8.27883 8.67311 4.99174 8.57395 9.22202 8.28518 11.734 numMergedOcc 0
23 mol 95 unq 2 iso 3 dist 8.83255 9.03572 6.59319 8.57395 9.22202 8.28518 8.27883 8.67311 4.99174 11.734 numMergedOcc 0
24 mol 95 unq 3 iso 0 dist 9.03572 8.83255 6.59319 8.27883 4.99174 8.67311 9.85409 15.917 13.7484 17.4304 numMergedOcc 0
25 mol 95 unq 3 iso 1 dist 9.03572 8.83255 6.59319 9.85409 15.917 13.7484 8.27883 4.99174 8.67311 17.4304 numMergedOcc 0
26 mol 95 unq 3 iso 2 dist 8.83255 9.03572 6.59319 8.27883 8.67311 4.99174 9.85409 13.7484 15.917 17.4304 numMergedOcc 0
27 mol 95 unq 3 iso 3 dist 8.83255 9.03572 6.59319 9.85409 13.7484 15.917 8.27883 8.67311 4.99174 17.4304 numMergedOcc 0
28 mol 95 unq 2 iso 0 dist 9.03572 8.83255 6.59319 5.75428 4.46005 3.94293 8.57395 8.28518 9.22202 6.95874 numMergedOcc 0
29 mol 95 unq 2 iso 1 dist 9.03572 8.83255 6.59319 8.57395 8.28518 9.22202 5.75428 4.46005 3.94293 6.95874 numMergedOcc 0
30 mol 95 unq 2 iso 2 dist 8.83255 9.03572 6.59319 5.75428 3.94293 4.46005 8.57395 9.22202 8.28518 6.95874 numMergedOcc 0
31 mol 95 unq 2 iso 3 dist 8.83255 9.03572 6.59319 8.57395 9.22202 8.28518 5.75428 3.94293 4.46005 6.95874 numMergedOcc 0
32 mol 95 unq 3 iso 0 dist 9.03572 8.83255 6.59319 5.75428 4.46005 3.94293 9.85409 15.917 13.7484 12.3063 numMergedOcc 0
33 mol 95 unq 3 iso 1 dist 9.03572 8.83255 6.59319 9.85409 15.917 13.7484 5.75428 4.46005 3.94293 12.3063 numMergedOcc 0
34 mol 95 unq 3 iso 2 dist 8.83255 9.03572 6.59319 5.75428 3.94293 4.46005 9.85409 13.7484 15.917 12.3063 numMergedOcc 0
35 mol 95 unq 3 iso 3 dist 8.83255 9.03572 6.59319 9.85409 13.7484 15.917 5.75428 3.94293 4.46005 12.3063 numMergedOcc 0
36 mol 95 unq 3 iso 0 dist 9.03572 8.83255 6.59319 8.57395 8.28518 9.22202 9.85409 15.917 13.7484 9.43547 numMergedOcc 0
37 mol 95 unq 3 iso 1 dist 9.03572 8.83255 6.59319 9.85409 15.917 13.7484 8.57395 8.28518 9.22202 9.43547 numMergedOcc 0
38 mol 95 unq 3 iso 2 dist 8.83255 9.03572 6.59319 8.57395 9.22202 8.28518 9.85409 13.7484 15.917 9.43547 numMergedOcc 0
39 mol 95 unq 3 iso 3 dist 8.83255 9.03572 6.59319 9.85409 13.7484 15.917 8.57395 9.22202 8.28518 9.43547 numMergedOcc 0
40 mol 95 unq 4 iso 0 dist 9.03572 8.03644 16.6055 8.27883 4.99174 15.6249 5.75428 4.46005 12.4896 6.27231 numMergedOcc 0
41 mol 95 unq 4 iso 1 dist 9.03572 8.03644 16.6055 5.75428 4.46005 12.4896 8.27883 4.99174 15.6249 6.27231 numMergedOcc 0
42 mol 95 unq 4 iso 2 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 5.75428 12.4896 4.46005 6.27231 numMergedOcc 0
43 mol 95 unq 4 iso 3 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 8.27883 15.6249 4.99174 6.27231 numMergedOcc 0
44 mol 95 unq 5 iso 0 dist 9.03572 8.03644 16.6055 8.27883 4.99174 15.6249 8.57395 8.28518 14.2178 11.734 numMergedOcc 0
45 mol 95 unq 5 iso 1 dist 9.03572 8.03644 16.6055 8.57395 8.28518 14.2178 8.27883 4.99174 15.6249 11.734 numMergedOcc 0
46 mol 95 unq 5 iso 2 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 8.57395 14.2178 8.28518 11.734 numMergedOcc 0
47 mol 95 unq 5 iso 3 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 8.27883 15.6249 4.99174 11.734 numMergedOcc 0
48 mol 95 unq 6 iso 0 dist 9.03572 8.03644 16.6055 8.27883 4.99174 15.6249 9.85409 15.917 8.78079 17.4304 numMergedOcc 0
49 mol 95 unq 6 iso 1 dist 9.03572 8.03644 16.6055 9.85409 15.917 8.78079 8.27883 4.99174 15.6249 17.4304 numMergedOcc 0
50 mol 95 unq 6 iso 2 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 9.85409 8.78079 15.917 17.4304 numMergedOcc 0
51 mol 95 unq 6 iso 3 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 8.27883 15.6249 4.99174 17.4304 numMergedOcc 0
52 mol 95 unq 5 iso 0 dist 9.03572 8.03644 16.6055 5.75428 4.46005 12.4896 8.57395 8.28518 14.2178 6.95874 numMergedOcc 0
53 mol 95 unq 5 iso 1 dist 9.03572 8.03644 16.6055 8.57395 8.28518 14.2178 5.75428 4.46005 12.4896 6.95874 numMergedOcc 0
54 mol 95 unq 5 iso 2 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 8.57395 14.2178 8.28518 6.95874 numMergedOcc 0
55 mol 95 unq 5 iso 3 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 5.75428 12.4896 4.46005 6.95874 numMergedOcc 0
56 mol 95 unq 6 iso 0 dist 9.03572 8.03644 16.6055 5.75428 4.46005 12.4896 9.85409 15.917 8.78079 12.3063 numMergedOcc 0
57 mol 95 unq 6 iso 1 dist 9.03572 8.03644 16.6055 9.85409 15.917 8.78079 5.75428 4.46005 12.4896 12.3063 numMergedOcc 0
58 mol 95 unq 6 iso 2 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 9.85409 8.78079 15.917 12.3063 numMergedOcc 0
59 mol 95 unq 6 iso 3 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 5.75428 12.4896 4.46005 12.3063 numMergedOcc 0
60 mol 95 unq 6 iso 0 dist 9.03572 8.03644 16.6055 8.57395 8.28518 14.2178 9.85409 15.917 8.78079 9.43547 numMergedOcc 0
61 mol 95 unq 6 iso 1 dist 9.03572 8.03644 16.6055 9.85409 15.917 8.78079 8.57395 8.28518 14.2178 9.43547 numMergedOcc 0
62 mol 95 unq 6 iso 2 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 9.85409 8.78079 15.917 9.43547 numMergedOcc 0
63 mol 95 unq 6 iso 3 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 8.57395 14.2178 8.28518 9.43547 numMergedOcc 0
64 mol 95 unq 4 iso 0 dist 8.83255 8.03644 13.8105 8.27883 8.67311 15.6249 5.75428 3.94293 12.4896 6.27231 numMergedOcc 0
65 mol 95 unq 4 iso 1 dist 8.83255 8.03644 13.8105 5.75428 3.94293 12.4896 8.27883 8.67311 15.6249 6.27231 numMergedOcc 0
66 mol 95 unq 4 iso 2 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 5.75428 12.4896 3.94293 6.27231 numMergedOcc 0
67 mol 95 unq 4 iso 3 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 8.27883 15.6249 8.67311 6.27231 numMergedOcc 0
68 mol 95 unq 5 iso 0 dist 8.83255 8.03644 13.8105 8.27883 8.67311 15.6249 8.57395 9.22202 14.2178 11.734 numMergedOcc 0
69 mol 95 unq 5 iso 1 dist 8.83255 8.03644 13.8105 8.57395 9.22202 14.2178 8.27883 8.67311 15.6249 11.734 numMergedOcc 0
70 mol 95 unq 5 iso 2 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 8.57395 14.2178 9.22202 11.734 numMergedOcc 0
71 mol 95 unq 5 iso 3 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 8.27883 15.6249 8.67311 11.734 numMergedOcc 0
72 mol 95 unq 6 iso 0 dist 8.83255 8.03644 13.8105 8.27883 8.67311 15.6249 9.85409 13.7484 8.78079 17.4304 numMergedOcc 0
73 mol 95 unq 6 iso 1 dist 8.83255 8.03644 13.8105 9.85409 13.7484 8.78079 8.27883 8.67311 15.6249 17.4304 numMergedOcc 0
74 mol 95 unq 6 iso 2 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 9.85409 8.78079 13.7484 17.4304 numMergedOcc 0
75 mol 95 unq 6 iso 3 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 8.27883 15.6249 8.67311 17.4304 numMergedOcc 0
76 mol 95 unq 5 iso 0 dist 8.83255 8.03644 13.8105 5.75428 3.94293 12.4896 8.57395 9.22202 14.2178 6.95874 numMergedOcc 0
77 mol 95 unq 5 iso 1 dist 8.83255 8.03644 13.8105 8.57395 9.22202 14.2178 5.75428 3.94293 12.4896 6.95874 numMergedOcc 0
78 mol 95 unq 5 iso 2 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 8.57395 14.2178 9.22202 6.95874 numMergedOcc 0
79 mol 95 unq 5 iso 3 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 5.75428 12.4896 3.94293 6.95874 numMergedOcc 0
80 mol 95 unq 6 iso 0 dist 8.83255 8.03644 13.8105 5.75428 3.94293 12.4896 9.85409 13.7484 8.78079 12.3063 numMergedOcc 0
81 mol 95 unq 6 iso 1 dist 8.83255 8.03644 13.8105 9.85409 13.7484 8.78079 5.75428 3.94293 12.4896 12.3063 numMergedOcc 0
82 mol 95 unq 6 iso 2 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 9.85409 8.78079 13.7484 12.3063 numMergedOcc 0
83 mol 95 unq 6 iso 3 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 5.75428 12.4896 3.94293 12.3063 numMergedOcc 0
84 mol 95 unq 6 iso 0 dist 8.83255 8.03644 13.8105 8.57395 9.22202 14.2178 9.85409 13.7484 8.78079 9.43547 numMergedOcc 0
85 mol 95 unq 6 iso 1 dist 8.83255 8.03644 13.8105 9.85409 13.7484 8.78079 8.57395 9.22202 14.2178 9.43547 numMergedOcc 0
86 mol 95 unq 6 iso 2 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 9.85409 8.78079 13.7484 9.43547 numMergedOcc 0
87 mol 95 unq 6 iso 3 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 8.57395 14.2178 9.22202 9.43547 numMergedOcc 0
88 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 7.82475 5.43561 5.9143 5.35782 6.30222 5.47563 3.5565 numMergedOcc 0
89 mol 100 unq 0 iso 1 dist 6.45675 7.47343 5.33144 5.35782 6.30222 5.47563 7.82475 5.43561 5.9143 3.5565 numMergedOcc 0
90 mol 100 unq 0 iso 2 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 5.35782 5.47563 6.30222 3.5565 numMergedOcc 0
91 mol 100 unq 0 iso 3 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 7.82475 5.9143 5.43561 3.5565 numMergedOcc 0
92 mol 100 unq 1 iso 0 dist 6.45675 8.86688 9.71151 7.82475 5.43561 5.25234 5.35782 6.30222 5.03232 3.5565 numMergedOcc 0
93 mol 100 unq 1 iso 1 dist 6.45675 8.86688 9.71151 5.35782 6.30222 5.03232 7.82475 5.43561 5.25234 3.5565 numMergedOcc 0
94 mol 100 unq 1 iso 2 dist 8.86688 6.45675 9.71151 7.82475 5.25234 5.43561 5.35782 5.03232 6.30222 3.5565 numMergedOcc 0
95 mol 100 unq 1 iso 3 dist 8.86688 6.45675 9.71151 5.35782 5.03232 6.30222 7.82475 5.25234 5.43561 3.5565 numMergedOcc 0
96 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 5.35782 5.47563 5.03232 3.5565 numMergedOcc 0
97 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 7.82475 5.9143 5.25234 3.5565 numMergedOcc 0
98 mol 100 unq 1 iso 2 dist 8.86688 7.47343 10.1407 7.82475 5.25234 5.9143 5.35782 5.03232 5.47563 3.5565 numMergedOcc 0
99 mol 100 unq 1 iso 3 dist 8.86688 7.47343 10.1407 5.35782 5.03232 5.47563 7.82475 5.25234 5.9143 3.5565 numMergedOcc 0
100 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 7.69765 10.3209 4.48636 9.42082 15.3161 6.63111 11.044 numMergedOcc 0
101 mol 115 unq 0 iso 1 dist 7.30858 5.83991 10.8507 9.42082 15.3161 6.63111 7.69765 10.3209 4.48636 11.044 numMergedOcc 0
102 mol 115 unq 0 iso 2 dist 5.83991 7.30858 10.8507 7.69765 4.48636 10.3209 9.42082 6.63111 15.3161 11.044 numMergedOcc 0
103 mol 115 unq 0 iso 3 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 7.69765 4.48636 10.3209 11.044 numMergedOcc 0
104 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 7.69765 10.3209 11.835 9.42082 15.3161 6.07067 11.044 numMergedOcc 0
105 mol 115 unq 1 iso 1 dist 7.30858 7.88312 11.5723 9.42082 15.3161 6.07067 7.69765 10.3209 11.835 11.044 numMergedOcc 0
106 mol 115 unq 1 iso 2 dist 7.88312 7.30858 11.5723 7.69765 11.835 10.3209 9.42082 6.07067 15.3161 11.044 numMergedOcc 0
107 mol 115 unq 1 iso 3 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 7.69765 11.835 10.3209 11.044 numMergedOcc 0
108 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 7.69765 4.48636 11.835 9.42082 6.63111 6.07067 11.044 numMergedOcc 0
109 mol 115 unq 1 iso 1 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 7.69765 4.48636 11.835 11.044 numMergedOcc 0
110 mol 115 unq 1 iso 2 dist 7.88312 5.83991 8.02349 7.69765 11.835 4.48636 9.42082 6.07067 6.63111 11.044 numMergedOcc 0
111 mol 115 unq 1 iso 3 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 7.69765 11.835 4.48636 11.044 numMergedOcc 0
112 mol 134 unq 0 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 7.93372 8.06642 4.00092 11.4107 numMergedOcc 0
113 mol 134 unq 0 iso 1 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 9.33924 6.95573 10.2026 11.4107 numMergedOcc 0
114 mol 134 unq 0 iso 2 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 7.93372 4.00092 8.06642 11.4107 numMergedOcc 0
115 mol 134 unq 0 iso 3 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 9.33924 10.2026 6.95573 11.4107 numMergedOcc 0
116 mol 134 unq 1 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 8.69531 7.41373 10.8635 5.83782 numMergedOcc 0
117 mol 134 unq 1 iso 1 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 9.1998 12.8086 15.0225 5.83782 numMergedOcc 0
118 mol 134 unq 1 iso 2 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 8.69531 10.8635 7.41373 5.83782 numMergedOcc 0
119 mol 134 unq 1 iso 3 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 9.1998 15.0225 12.8086 5.83782 numMergedOcc 0
120 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.81207 4.67662 5.81599 7.18002 13.5913 9.99555 13.4681 numMergedOcc 0
121 mol 142 unq 0 iso 1 dist 9.2313 7.73169 5.50998 7.18002 13.5913 9.99555 7.81207 4.67662 5.81599 13.4681 numMergedOcc 0
122 mol 142 unq 0 iso 2 dist 7.73169 9.2313 5.50998 7.81207 5.81599 4.67662 7.18002 9.99555 13.5913 13.4681 numMergedOcc 0
123 mol 142 unq 0 iso 3 dist 7.73169 9.2313 5.50998 7.18002 9.99555 13.5913 7.81207 5.81599 4.67662 13.4681 numMergedOcc 0
124 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.81207 4.67662 11.1 7.18002 13.5913 6.52253 13.4681 numMergedOcc 0
125 mol 142 unq 1 iso 1 dist 9.2313 8.96657 11.1395 7.18002 13.5913 6.52253 7.81207 4.67662 11.1 13.4681 numMergedOcc 0
126 mol 142 unq 1 iso 2 dist 8.96657 9.2313 11.1395 7.81207 11.1 4.67662 7.18002 6.52253 13.5913 13.4681 numMergedOcc 0
127 mol 142 unq 1 iso 3 dist 8.96657 9.2313 11.1395 7.18002 6.52253 13.5913 7.81207 11.1 4.67662 13.4681 numMergedOcc 0
128 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.81207 5.81599 11.1 7.18002 9.99555 6.52253 13.4681 numMergedOcc 0
129 mol 142 unq 1 iso 1 dist 7.73169 8.96657 5.92693 7.18002 9.99555 6.52253 7.81207 5.81599 11.1 13.4681 numMergedOcc 0
130 mol 142 unq 1 iso 2 dist 8.96657 7.73169 5.92693 7.81207 11.1 5.81599 7.18002 6.52253 9.99555 13.4681 numMergedOcc 0
131 mol 142 unq 1 iso 3 dist 8.96657 7.73169 5.92693 7.18002 6.52253 9.99555 7.81207 11.1 5.81599 13.4681 numMergedOcc 0
132 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 6.64173 6.8757 10.6474 9.01624 5.71898 5.93724 11.196 numMergedOcc 0
133 mol 181 unq 0 iso 1 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 6.64173 6.8757 10.6474 11.196 numMergedOcc 0
134 mol 181 unq 0 iso 2 dist 7.63312 7.81386 8.85576 6.64173 10.6474 6.8757 9.01624 5.93724 5.71898 11.196 numMergedOcc 0
135 mol 181 unq 0 iso 3 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 6.64173 10.6474 6.8757 11.196 numMergedOcc 0
136 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 6.64173 6.8757 10.6474 9.55105 5.83796 5.12833 10.1041 numMergedOcc 0
137 mol 181 unq 1 iso 1 dist 7.81386 7.63312 8.85576 9.55105 5.83796 5.12833 6.64173 6.8757 10.6474 10.1041 numMergedOcc 0
138 mol 181 unq 1 iso 2 dist 7.63312 7.81386 8.85576 6.64173 10.6474 6.8757 9.55105 5.12833 5.83796 10.1041 numMergedOcc 0
139 mol 181 unq 1 iso 3 dist 7.63312 7.81386 8.85576 9.55105 5.12833 5.83796 6.64173 10.6474 6.8757 10.1041 numMergedOcc 0
140 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 9.55105 5.83796 5.12833 3.55187 numMergedOcc 0
141 mol 181 unq 1 iso 1 dist 7.81386 7.63312 8.85576 9.55105 5.83796 5.12833 9.01624 5.71898 5.93724 3.55187 numMergedOcc 0
142 mol 181 unq 1 iso 2 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 9.55105 5.12833 5.83796 3.55187 numMergedOcc 0
143 mol 181 unq 1 iso 3 dist 7.63312 7.81386 8.85576 9.55105 5.12833 5.83796 9.01624 5.93724 5.71898 3.55187 numMergedOcc 0
144 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.74196 8.84507 12.8595 8.36842 6.02502 12.5866 8.10209 numMergedOcc 0
145 mol 222 unq 0 iso 1 dist 6.00706 7.54212 6.8425 8.36842 6.02502 12.5866 6.74196 8.84507 12.8595 8.10209 numMergedOcc 0
146 mol 222 unq 0 iso 2 dist 7.54212 6.00706 6.8425 6.74196 12.8595 8.84507 8.36842 12.5866 6.02502 8.10209 numMergedOcc 0
147 mol 222 unq 0 iso 3 dist 7.54212 6.00706 6.8425 8.36842 12.5866 6.02502 6.74196 12.8595 8.84507 8.10209 numMergedOcc 0
148 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 6.74196 8.84507 12.8595 9.75472 5.18677 11.9567 9.49218 numMergedOcc 0
149 mol 222 unq 1 iso 1 dist 6.00706 7.54212 6.8425 9.75472 5.18677 11.9567 6.74196 8.84507 12.8595 9.49218 numMergedOcc 0
150 mol 222 unq 1 iso 2 dist 7.54212 6.00706 6.8425 6.74196 12.8595 8.84507 9.75472 11.9567 5.18677 9.49218 numMergedOcc 0
151 mol 222 unq 1 iso 3 dist 7.54212 6.00706 6.8425 9.75472 11.9567 5.18677 6.74196 12.8595 8.84507 9.49218 numMergedOcc 0
152 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 8.36842 6.02502 12.5866 9.75472 5.18677 11.9567 3.53707 numMergedOcc 0
153 mol 222 unq 1 iso 1 dist 6.00706 7.54212 6.8425 9.75472 5.18677 11.9567 8.36842 6.02502 12.5866 3.53707 numMergedOcc 0
154 mol 222 unq 1 iso 2 dist 7.54212 6.00706 6.8425 8.36842 12.5866 6.02502 9.75472 11.9567 5.18677 3.53707 numMergedOcc 0
155 mol 222 unq 1 iso 3 dist 7.54212 6.00706 6.8425 9.75472 11.9567 5.18677 8.36842 12.5866 6.02502 3.53707 numMergedOcc 0
156 mol 223 unq 0 iso 0 dist 8.77153 8.6166 8.51421 6.42257 4.04036 9.47076 9.33543 13.1538 5.39728 12.841 numMergedOcc 0
157 mol 223 unq 0 iso 1 dist 8.77153 8.6166 8.51421 9.33543 13.1538 5.39728 6.42257 4.04036 9.47076 12.841 numMergedOcc 0
158 mol 223 unq 0 iso 2 dist 8.6166 8.77153 8.51421 6.42257 9.47076 4.04036 9.33543 5.39728 13.1538 12.841 numMergedOcc 0
159 mol 223 unq 0 iso 3 dist 8.6166 8.77153 8.51421 9.33543 5.39728 13.1538 6.42257 9.47076 4.04036 12.841 numMergedOcc 0
160 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 9.63573 7.20604 5.05362 7.66153 8.8603 5.8801 10.3051 numMergedOcc 0
161 mol 259 unq 0 iso 1 dist 7.88519 7.84554 4.86771 7.66153 8.8603 5.8801 9.63573 7.20604 5.05362 10.3051 numMergedOcc 0
162 mol 259 unq 0 iso 2 dist 7.84554 7.88519 4.86771 9.63573 5.05362 7.20604 7.66153 5.8801 8.8603 10.3051 numMergedOcc 0
163 mol 259 unq 0 iso 3 dist 7.84554 7.88519 4.86771 7.66153 5.8801 8.8603 9.63573 5.05362 7.20604 10.3051 numMergedOcc 0
164 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.63573 7.20604 5.21606 7.66153 8.8603 11.8896 10.3051 numMergedOcc 0
165 mol 259 unq 1 iso 1 dist 7.88519 7.46176 6.96053 7.66153 8.8603 11.8896 9.63573 7.20604 5.21606 10.3051 numMergedOcc 0
166 mol 259 unq 1 iso 2 dist 7.46176 7.88519 6.96053 9.63573 5.21606 7.20604 7.66153 11.8896 8.8603 10.3051 numMergedOcc 0
167 mol 259 unq 1 iso 3 dist 7.46176 7.88519 6.96053 7.66153 11.8896 8.8603 9.63573 5.21606 7.20604 10.3051 numMergedOcc 0
168 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 9.63573 7.20604 7.46841 7.66153 8.8603 5.81576 10.3051 numMergedOcc 0
169 mol 259 unq 2 iso 1 dist 7.88519 9.18903 10.4881 7.66153 8.8603 5.81576 9.63573 7.20604 7.46841 10.3051 numMergedOcc 0
170 mol 259 unq 2 iso 2 dist 9.18903 7.88519 10.4881 9.63573 7.46841 7.20604 7.66153 5.81576 8.8603 10.3051 numMergedOcc 0
171 mol 259 unq 2 iso 3 dist 9.18903 7.88519 10.4881 7.66153 5.81576 8.8603 9.63573 7.46841 7.20604 10.3051 numMergedOcc 0
172 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 9.63573 5.05362 5.21606 7.66153 5.8801 11.8896 10.3051 numMergedOcc 0
173 mol 259 unq 1 iso 1 dist 7.84554 7.46176 7.64658 7.66153 5.8801 11.8896 9.63573 5.05362 5.21606 10.3051 numMergedOcc 0
174 mol 259 unq 1 iso 2 dist 7.46176 7.84554 7.64658 9.63573 5.21606 5.05362 7.66153 11.8896 5.8801 10.3051 numMergedOcc 0
175 mol 259 unq 1 iso 3 dist 7.46176 7.84554 7.64658 7.66153 11.8896 5.8801 9.63573 5.21606 5.05362 10.3051 numMergedOcc 0
176 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 9.63573 5.05362 7.46841 7.66153 5.8801 5.81576 10.3051 numMergedOcc 0
177 mol 259 unq 2 iso 1 dist 7.84554 9.18903 5.87173 7.66153 5.8801 5.81576 9.63573 5.05362 7.46841 10.3051 numMergedOcc 0
178 mol 259 unq 2 iso 2 dist 9.18903 7.84554 5.87173 9.63573 7.46841 5.05362 7.66153 5.81576 5.8801 10.3051 numMergedOcc 0
179 mol 259 unq 2 iso 3 dist 9.18903 7.84554 5.87173 7.66153 5.81576 5.8801 9.63573 7.46841 5.05362 10.3051 numMergedOcc 0
180 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 9.63573 5.21606 7.46841 7.66153 11.8896 5.81576 10.3051 numMergedOcc 0
181 mol 259 unq 2 iso 1 dist 7.46176 9.18903 10.5239 7.66153 11.8896 5.81576 9.63573 5.21606 7.46841 10.3051 numMergedOcc 0
182 mol 259 unq 2 iso 2 dist 9.18903 7.46176 10.5239 9.63573 7.46841 5.21606 7.66153 5.81576 11.8896 10.3051 numMergedOcc 0
183 mol 259 unq 2 iso 3 dist 9.18903 7.46176 10.5239 7.66153 5.81576 11.8896 9.63573 7.46841 5.21606 10.3051 numMergedOcc 0
