0 mol 7 unq 0 iso 0 dist 7.31201 6.1206 4.40641 7.67927 5.03278 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.31201 7.67927 5.03278 6.1206 4.40641 4.80709 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 7.67927 11.2233 4.80709 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 7.67927 11.2233 6.1206 7.92429 4.80709 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.47421 8.55451 5.66192 5.8245 3.91075 3.58336 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 8.47421 5.8245 3.91075 8.55451 5.66192 3.58336 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.57331 4.68733 6.09368 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 7.03948 6.57331 4.68733 6.42835 9.87867 6.09368 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 8.89374 8.01308 9.47022 8.96727 14.6599 6.20884 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 5.03251 4.01021 3.43675 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 9.02278 5.03251 4.01021 6.21799 5.5067 3.43675 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.02278 6.21799 5.5067 7.66093 6.40102 5.75711 numMergedOcc 0
13 mol 72 unq 1 iso 1 dist 9.02278 7.66093 6.40102 6.21799 5.5067 5.75711 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.02278 5.03251 4.01021 7.66093 6.40102 5.26077 numMergedOcc 0
15 mol 72 unq 1 iso 1 dist 9.02278 7.66093 6.40102 5.03251 4.01021 5.26077 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 7.321 9.55118 6.74416 9.10345 5.63793 9.20237 numMergedOcc 0
17 mol 72 unq 2 iso 1 dist 7.321 9.10345 5.63793 9.55118 6.74416 9.20237 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 4.65521 8.68662 6.10063 7.4369 6.15714 3.30399 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 4.65521 7.4369 6.15714 8.68662 6.10063 3.30399 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 7.13087 8.72682 10.1413 6.45841 7.79034 11.9298 numMergedOcc 0
21 mol 73 unq 1 iso 1 dist 7.13087 6.45841 7.79034 8.72682 10.1413 11.9298 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 7.13087 8.72682 10.1413 5.61588 8.97361 9.76138 numMergedOcc 0
23 mol 73 unq 2 iso 1 dist 7.13087 5.61588 8.97361 8.72682 10.1413 9.76138 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 7.13087 8.72682 10.1413 7.83244 10.2983 5.81659 numMergedOcc 0
25 mol 73 unq 3 iso 1 dist 7.13087 7.83244 10.2983 8.72682 10.1413 5.81659 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 7.13087 6.45841 7.79034 5.61588 8.97361 3.32668 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 7.13087 5.61588 8.97361 6.45841 7.79034 3.32668 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 7.13087 6.45841 7.79034 7.83244 10.2983 8.07648 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 7.13087 7.83244 10.2983 6.45841 7.79034 8.07648 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 7.13087 5.61588 8.97361 7.83244 10.2983 5.30471 numMergedOcc 0
31 mol 73 unq 3 iso 1 dist 7.13087 7.83244 10.2983 5.61588 8.97361 5.30471 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 8.72704 7.82475 12.5061 5.35782 12.1093 3.5565 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 8.72704 5.35782 12.1093 7.82475 12.5061 3.5565 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 8.66155 7.69765 9.13361 9.42082 6.49835 11.044 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 8.66155 9.42082 6.49835 7.69765 9.13361 11.044 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 5.42582 9.33924 6.0991 7.93372 5.67107 11.4107 numMergedOcc 0
37 mol 134 unq 0 iso 1 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.94837 9.00918 5.58312 7.99477 9.61537 4.87973 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 8.94837 7.99477 9.61537 9.00918 5.58312 4.87973 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 7.18002 12.2806 13.4681 numMergedOcc 0
41 mol 142 unq 0 iso 1 dist 7.15475 7.18002 12.2806 7.81207 5.26247 13.4681 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 8.62646 7.20495 4.15547 9.2289 7.0046 9.25262 numMergedOcc 0
43 mol 167 unq 0 iso 1 dist 8.62646 9.2289 7.0046 7.20495 4.15547 9.25262 numMergedOcc 0
44 mol 167 unq 1 iso 0 dist 8.62646 7.20495 4.15547 7.02548 6.24722 6.81449 numMergedOcc 0
45 mol 167 unq 1 iso 1 dist 8.62646 7.02548 6.24722 7.20495 4.15547 6.81449 numMergedOcc 0
46 mol 167 unq 1 iso 0 dist 8.62646 9.2289 7.0046 7.02548 6.24722 3.55199 numMergedOcc 0
47 mol 167 unq 1 iso 1 dist 8.62646 7.02548 6.24722 9.2289 7.0046 3.55199 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 9.01624 12.2513 11.196 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 7.98142 9.01624 12.2513 6.64173 4.48306 11.196 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 7.98142 6.64173 4.48306 9.55105 10.2172 10.1041 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 7.98142 9.55105 10.2172 6.64173 4.48306 10.1041 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 9.55105 10.2172 3.55187 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 7.98142 9.55105 10.2172 9.01624 12.2513 3.55187 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 7.37327 6.64173 4.88823 9.01624 14.8923 11.196 numMergedOcc 0
55 mol 181 unq 2 iso 1 dist 7.37327 9.01624 14.8923 6.64173 4.88823 11.196 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 9.55105 14.2334 10.1041 numMergedOcc 0
57 mol 181 unq 3 iso 1 dist 7.37327 9.55105 14.2334 6.64173 4.88823 10.1041 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 7.37327 9.01624 14.8923 9.55105 14.2334 3.55187 numMergedOcc 0
59 mol 181 unq 3 iso 1 dist 7.37327 9.55105 14.2334 9.01624 14.8923 3.55187 numMergedOcc 0
60 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 5.96423 11.6883 5.33725 numMergedOcc 0
61 mol 184 unq 0 iso 1 dist 9.52936 5.96423 11.6883 8.97589 9.68365 5.33725 numMergedOcc 0
62 mol 188 unq 0 iso 0 dist 6.90541 7.88013 6.39872 9.90062 8.81694 3.68927 numMergedOcc 0
63 mol 188 unq 0 iso 1 dist 6.90541 9.90062 8.81694 7.88013 6.39872 3.68927 numMergedOcc 0
64 mol 192 unq 0 iso 0 dist 8.36822 9.78634 10.3099 5.64942 10.1087 5.9655 numMergedOcc 0
65 mol 192 unq 0 iso 1 dist 8.36822 5.64942 10.1087 9.78634 10.3099 5.9655 numMergedOcc 0
66 mol 192 unq 1 iso 0 dist 8.36822 9.78634 10.3099 7.43054 10.0566 7.70298 numMergedOcc 0
67 mol 192 unq 1 iso 1 dist 8.36822 7.43054 10.0566 9.78634 10.3099 7.70298 numMergedOcc 0
68 mol 192 unq 1 iso 0 dist 8.36822 5.64942 10.1087 7.43054 10.0566 3.60331 numMergedOcc 0
69 mol 192 unq 1 iso 1 dist 8.36822 7.43054 10.0566 5.64942 10.1087 3.60331 numMergedOcc 0
70 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 numMergedOcc 0
71 mol 235 unq 0 iso 1 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 numMergedOcc 0
72 mol 235 unq 1 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 numMergedOcc 0
73 mol 235 unq 1 iso 1 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 numMergedOcc 0
74 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 7.66153 14.0829 10.3051 numMergedOcc 0
75 mol 259 unq 0 iso 1 dist 7.48005 7.66153 14.0829 9.63573 9.98303 10.3051 numMergedOcc 0
76 mol 259 unq 1 iso 0 dist 6.77938 8.03219 8.90322 6.9899 9.2872 8.0048 numMergedOcc 0
77 mol 259 unq 1 iso 1 dist 6.77938 6.9899 9.2872 8.03219 8.90322 8.0048 numMergedOcc 0
78 mol 259 unq 2 iso 0 dist 7.76676 8.03219 7.27192 6.9899 4.61451 8.0048 numMergedOcc 0
79 mol 259 unq 2 iso 1 dist 7.76676 6.9899 4.61451 8.03219 7.27192 8.0048 numMergedOcc 0
80 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 6.4611 5.70568 13.5848 numMergedOcc 0
81 mol 274 unq 0 iso 1 dist 6.50589 6.4611 5.70568 9.30212 15.0646 13.5848 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 9.41725 9.35539 7.07508 8.9682 18.3854 16.9644 numMergedOcc 0
83 mol 277 unq 0 iso 1 dist 9.41725 8.9682 18.3854 9.35539 7.07508 16.9644 numMergedOcc 0
84 mol 277 unq 1 iso 0 dist 9.41725 9.35539 7.07508 6.92711 16.1088 15.8851 numMergedOcc 0
85 mol 277 unq 1 iso 1 dist 9.41725 6.92711 16.1088 9.35539 7.07508 15.8851 numMergedOcc 0
86 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 6.92711 16.1088 3.39114 numMergedOcc 0
87 mol 277 unq 1 iso 1 dist 9.41725 6.92711 16.1088 8.9682 18.3854 3.39114 numMergedOcc 0
88 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 8.9221 7.29981 9.43063 numMergedOcc 0
89 mol 292 unq 0 iso 1 dist 9.454 8.9221 7.29981 9.9182 8.68456 9.43063 numMergedOcc 0
