0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 8.28153 6.49982 3.78082 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.82505 9.97507 5.17568 8.28153 3.78082 6.49982 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 7.7312 4.44441 10.0411 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 6.864 4.51865 7.67038 7.7312 10.0411 4.44441 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.03372 7.23535 9.92243 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.03372 9.92243 7.23535 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 7.50293 9.91611 5.79773 8.83233 7.63536 4.04384 numMergedOcc 0
7 mol 38 unq 0 iso 1 dist 9.91611 7.50293 5.79773 8.83233 4.04384 7.63536 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 7.99312 8.2183 5.36342 9.17982 4.11117 4.81484 numMergedOcc 0
9 mol 41 unq 0 iso 1 dist 8.2183 7.99312 5.36342 9.17982 4.81484 4.11117 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 7.99312 8.2183 5.36342 9.62869 4.77073 7.03449 numMergedOcc 0
11 mol 41 unq 1 iso 1 dist 8.2183 7.99312 5.36342 9.62869 7.03449 4.77073 numMergedOcc 0
12 mol 41 unq 2 iso 0 dist 7.99312 8.2183 5.36342 6.40219 6.69486 7.02983 numMergedOcc 0
13 mol 41 unq 2 iso 1 dist 8.2183 7.99312 5.36342 6.40219 7.02983 6.69486 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.02471 12.6657 14.0654 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 9.02471 14.0654 12.6657 numMergedOcc 0
16 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 6.22221 8.88455 9.53385 numMergedOcc 0
17 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 6.22221 9.53385 8.88455 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.4278 7.93183 10.7675 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 9.4278 10.7675 7.93183 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 9.4278 7.93183 10.5901 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 9.4278 10.5901 7.93183 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 9.4278 10.7675 10.5901 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 9.4278 10.5901 10.7675 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 4.86198 5.21565 10.7434 numMergedOcc 0
25 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 4.86198 10.7434 5.21565 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 8.04242 5.76272 8.18948 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 8.04242 8.18948 5.76272 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 8.04242 5.76272 14.113 numMergedOcc 0
29 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 8.04242 14.113 5.76272 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 8.04242 8.18948 14.113 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 8.04242 14.113 8.18948 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.85601 17.4771 10.2467 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.85601 10.2467 17.4771 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.92856 8.29813 13.2057 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.92856 13.2057 8.29813 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.92856 8.29813 12.7473 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 7.92856 12.7473 8.29813 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.92856 13.2057 12.7473 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 7.92856 12.7473 13.2057 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 6.90986 5.39945 5.67807 5.93278 6.34182 3.98154 numMergedOcc 0
41 mol 115 unq 0 iso 1 dist 5.39945 6.90986 5.67807 5.93278 3.98154 6.34182 numMergedOcc 0
42 mol 115 unq 1 iso 0 dist 6.90986 5.39945 5.67807 6.19918 8.66957 6.61688 numMergedOcc 0
43 mol 115 unq 1 iso 1 dist 5.39945 6.90986 5.67807 6.19918 6.61688 8.66957 numMergedOcc 0
44 mol 120 unq 0 iso 0 dist 8.75408 6.44653 5.23036 6.42623 5.6295 3.824 numMergedOcc 0
45 mol 120 unq 0 iso 1 dist 6.44653 8.75408 5.23036 6.42623 3.824 5.6295 numMergedOcc 0
46 mol 120 unq 1 iso 0 dist 8.75408 6.44653 5.23036 8.95899 8.97962 4.96885 numMergedOcc 0
47 mol 120 unq 1 iso 1 dist 6.44653 8.75408 5.23036 8.95899 4.96885 8.97962 numMergedOcc 0
48 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 5.39356 10.2024 12.7606 numMergedOcc 0
49 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 5.39356 12.7606 10.2024 numMergedOcc 0
50 mol 127 unq 1 iso 0 dist 8.14887 9.30299 7.30196 9.92746 5.4328 12.6193 numMergedOcc 0
51 mol 127 unq 1 iso 1 dist 9.30299 8.14887 7.30196 9.92746 12.6193 5.4328 numMergedOcc 0
52 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 8.04118 4.05822 4.7832 numMergedOcc 0
53 mol 142 unq 0 iso 1 dist 5.31024 9.2313 5.32922 8.04118 4.7832 4.05822 numMergedOcc 0
54 mol 142 unq 1 iso 0 dist 7.73169 7.26382 5.32922 8.39035 4.05822 4.7832 numMergedOcc 0
55 mol 142 unq 1 iso 1 dist 7.26382 7.73169 5.32922 8.39035 4.7832 4.05822 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 6.79114 4.68615 9.35878 numMergedOcc 0
57 mol 152 unq 0 iso 1 dist 8.87437 5.87555 5.49936 6.79114 9.35878 4.68615 numMergedOcc 0
58 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 7.59457 4.73288 4.70284 numMergedOcc 0
59 mol 152 unq 1 iso 1 dist 8.87437 5.87555 5.49936 7.59457 4.70284 4.73288 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 8.56324 6.70283 7.65448 9.00072 12.2243 4.73288 numMergedOcc 0
61 mol 152 unq 2 iso 1 dist 6.70283 8.56324 7.65448 9.00072 4.73288 12.2243 numMergedOcc 0
62 mol 152 unq 3 iso 0 dist 8.56324 7.16148 10.6875 9.00072 12.2243 4.70284 numMergedOcc 0
63 mol 152 unq 3 iso 1 dist 7.16148 8.56324 10.6875 9.00072 4.70284 12.2243 numMergedOcc 0
64 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 9.00072 4.73288 4.70284 numMergedOcc 0
65 mol 152 unq 3 iso 1 dist 7.16148 6.70283 5.49936 9.00072 4.70284 4.73288 numMergedOcc 0
66 mol 152 unq 4 iso 0 dist 8.67331 8.05741 5.49936 7.55419 4.73288 4.70284 numMergedOcc 0
67 mol 152 unq 4 iso 1 dist 8.05741 8.67331 5.49936 7.55419 4.70284 4.73288 numMergedOcc 0
68 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.72821 4.69387 3.70233 numMergedOcc 0
69 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 4.72821 3.70233 4.69387 numMergedOcc 0
70 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.72821 4.69387 7.39705 numMergedOcc 0
71 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 4.72821 7.39705 4.69387 numMergedOcc 0
72 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.72821 4.69387 9.77268 numMergedOcc 0
73 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 4.72821 9.77268 4.69387 numMergedOcc 0
74 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 4.72821 3.70233 7.39705 numMergedOcc 0
75 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 4.72821 7.39705 3.70233 numMergedOcc 0
76 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 4.72821 3.70233 9.77268 numMergedOcc 0
77 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 4.72821 9.77268 3.70233 numMergedOcc 0
78 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 4.72821 7.39705 9.77268 numMergedOcc 0
79 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 4.72821 9.77268 7.39705 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 8.29467 6.13927 13.2274 numMergedOcc 0
81 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 8.29467 13.2274 6.13927 numMergedOcc 0
82 mol 205 unq 0 iso 0 dist 9.61492 7.45763 11.8283 9.31158 10.8636 5.42503 numMergedOcc 0
83 mol 205 unq 0 iso 1 dist 7.45763 9.61492 11.8283 9.31158 5.42503 10.8636 numMergedOcc 0
84 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 6.23183 8.20841 7.83734 numMergedOcc 0
85 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 6.23183 7.83734 8.20841 numMergedOcc 0
86 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 5.1609 6.91863 8.26703 numMergedOcc 0
87 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 5.1609 8.26703 6.91863 numMergedOcc 0
88 mol 222 unq 1 iso 0 dist 8.01589 7.21333 13.3522 5.1609 6.91863 8.89157 numMergedOcc 0
89 mol 222 unq 1 iso 1 dist 7.21333 8.01589 13.3522 5.1609 8.89157 6.91863 numMergedOcc 0
90 mol 222 unq 1 iso 0 dist 7.7699 7.21333 5.24516 5.1609 8.26703 8.89157 numMergedOcc 0
91 mol 222 unq 1 iso 1 dist 7.21333 7.7699 5.24516 5.1609 8.89157 8.26703 numMergedOcc 0
92 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 9.9868 16.456 17.7601 numMergedOcc 0
93 mol 231 unq 0 iso 1 dist 8.40182 7.37839 4.06055 9.9868 17.7601 16.456 numMergedOcc 0
94 mol 231 unq 1 iso 0 dist 7.37839 8.40182 4.06055 7.3268 6.63423 10.3815 numMergedOcc 0
95 mol 231 unq 1 iso 1 dist 8.40182 7.37839 4.06055 7.3268 10.3815 6.63423 numMergedOcc 0
96 mol 253 unq 0 iso 0 dist 7.32223 8.31064 7.25988 9.19385 5.85692 6.0222 numMergedOcc 0
97 mol 253 unq 0 iso 1 dist 8.31064 7.32223 7.25988 9.19385 6.0222 5.85692 numMergedOcc 0
98 mol 253 unq 1 iso 0 dist 7.32223 8.31064 7.25988 7.14243 9.00842 6.93212 numMergedOcc 0
99 mol 253 unq 1 iso 1 dist 8.31064 7.32223 7.25988 7.14243 6.93212 9.00842 numMergedOcc 0
100 mol 253 unq 2 iso 0 dist 7.32223 8.31064 7.25988 5.77511 11.5574 10.2118 numMergedOcc 0
101 mol 253 unq 2 iso 1 dist 8.31064 7.32223 7.25988 5.77511 10.2118 11.5574 numMergedOcc 0
102 mol 253 unq 3 iso 0 dist 7.32223 8.31064 7.25988 7.81382 12.8384 12.4811 numMergedOcc 0
103 mol 253 unq 3 iso 1 dist 8.31064 7.32223 7.25988 7.81382 12.4811 12.8384 numMergedOcc 0
104 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.83622 4.24652 7.38951 numMergedOcc 0
105 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.83622 7.38951 4.24652 numMergedOcc 0
106 mol 280 unq 0 iso 0 dist 6.53701 6.0664 5.51836 6.01897 6.87492 3.51781 numMergedOcc 0
107 mol 280 unq 0 iso 1 dist 6.0664 6.53701 5.51836 6.01897 3.51781 6.87492 numMergedOcc 0
