0 mol 0 unq 0 iso 0 dist 9.42137 11.6896 9.6994 7.65884 9.23213 5.08793 12.7756 8.81979 5.63197 9.14029 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.42137 11.6896 9.6994 12.7756 8.81979 5.63197 7.65884 9.23213 5.08793 9.14029 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.42137 14.5258 7.15528 7.65884 9.23213 10.4498 12.7756 8.81979 5.52201 9.14029 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 9.42137 14.5258 7.15528 12.7756 8.81979 5.52201 7.65884 9.23213 10.4498 9.14029 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 9.32959 9.25235 5.37521 4.61166 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 7.10144 8.66514 8.4283 4.61166 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 8.37153 9.25235 5.37521 4.61166 numMergedOcc 0
7 mol 88 unq 1 iso 1 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 10.0278 8.66514 8.4283 4.61166 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 10.1017 9.14376 6.12943 11.889 numMergedOcc 0
9 mol 115 unq 0 iso 1 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 5.46352 6.99777 10.8292 11.889 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 10.1017 9.14376 4.62962 11.889 numMergedOcc 0
11 mol 115 unq 1 iso 1 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 5.46352 6.99777 11.7126 11.889 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 9.81323 9.14376 6.12943 11.889 numMergedOcc 0
13 mol 115 unq 2 iso 1 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 10.3995 6.99777 10.8292 11.889 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 9.81323 9.14376 4.62962 11.889 numMergedOcc 0
15 mol 115 unq 3 iso 1 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 10.3995 6.99777 11.7126 11.889 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 6.53156 6.89257 8.84655 4.72188 8.74308 6.76754 6.09983 numMergedOcc 0
17 mol 130 unq 0 iso 1 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 6.53156 6.89257 8.84655 6.09983 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 14.8295 9.51418 6.6499 10.2027 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 6.25099 6.91348 6.19596 10.2027 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 5.10076 7.16254 6.3845 9.64056 9.86313 5.86939 7.63368 numMergedOcc 0
21 mol 155 unq 0 iso 1 dist 6.7973 5.01118 6.23493 9.64056 9.86313 5.86939 5.10076 7.16254 6.3845 7.63368 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 11.14 7.98142 9.53462 10.9006 7.37327 11.1462 6.46849 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 11.14 7.98142 9.53462 6.46849 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 11.14 7.98142 9.60512 10.9006 7.37327 13.3389 6.46849 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 11.14 7.98142 9.60512 6.46849 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 6.09245 6.97182 6.16485 10.8345 6.1175 11.5712 5.93129 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 9.51764 6.28065 9.65138 10.8345 6.1175 11.5712 6.09245 6.97182 6.16485 5.93129 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 6.09245 6.97182 5.33565 10.8345 6.1175 5.06792 5.93129 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 9.51764 11.2159 7.14453 10.8345 6.1175 5.06792 6.09245 6.97182 5.33565 5.93129 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 9.51764 6.53326 8.85478 6.09245 6.97182 8.47007 10.8345 6.1175 12.8334 5.93129 numMergedOcc 0
31 mol 214 unq 2 iso 1 dist 9.51764 6.53326 8.85478 10.8345 6.1175 12.8334 6.09245 6.97182 8.47007 5.93129 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 8.69149 6.97182 6.16485 6.00706 6.1175 11.5712 5.93129 numMergedOcc 0
33 mol 214 unq 3 iso 1 dist 5.36829 11.7583 9.65138 6.00706 6.1175 11.5712 8.69149 6.97182 6.16485 5.93129 numMergedOcc 0
34 mol 214 unq 4 iso 0 dist 5.36829 4.98764 7.14453 8.69149 6.97182 5.33565 6.00706 6.1175 5.06792 5.93129 numMergedOcc 0
35 mol 214 unq 4 iso 1 dist 5.36829 4.98764 7.14453 6.00706 6.1175 5.06792 8.69149 6.97182 5.33565 5.93129 numMergedOcc 0
36 mol 214 unq 5 iso 0 dist 5.36829 12.3481 8.85478 8.69149 6.97182 8.47007 6.00706 6.1175 12.8334 5.93129 numMergedOcc 0
37 mol 214 unq 5 iso 1 dist 5.36829 12.3481 8.85478 6.00706 6.1175 12.8334 8.69149 6.97182 8.47007 5.93129 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 16.9465 9.5707 15.9563 15.442 7.85175 11.216 5.32617 numMergedOcc 0
39 mol 234 unq 0 iso 1 dist 7.86368 12.0816 9.45496 15.442 7.85175 11.216 16.9465 9.5707 15.9563 5.32617 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 16.9465 9.5707 14.4106 15.442 7.85175 11.4315 5.32617 numMergedOcc 0
41 mol 234 unq 1 iso 1 dist 7.86368 6.94762 6.7625 15.442 7.85175 11.4315 16.9465 9.5707 14.4106 5.32617 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 8.90987 5.26654 8.03456 14.3961 7.17676 11.8759 12.7435 6.68463 9.07822 7.88539 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 8.90987 5.26654 8.03456 12.7435 6.68463 9.07822 14.3961 7.17676 11.8759 7.88539 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 8.90987 3.82437 6.84306 14.3961 7.17676 11.3552 12.7435 6.68463 11.6837 7.88539 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 8.90987 3.82437 6.84306 12.7435 6.68463 11.6837 14.3961 7.17676 11.3552 7.88539 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 8.90987 13.8124 9.99038 14.3961 7.17676 6.04825 12.7435 6.68463 8.8265 7.88539 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 8.90987 13.8124 9.99038 12.7435 6.68463 8.8265 14.3961 7.17676 6.04825 7.88539 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 8.90987 11.2846 9.78037 14.3961 7.17676 12.6468 12.7435 6.68463 5.80136 7.88539 numMergedOcc 0
49 mol 236 unq 3 iso 1 dist 8.90987 11.2846 9.78037 12.7435 6.68463 5.80136 14.3961 7.17676 12.6468 7.88539 numMergedOcc 0
50 mol 236 unq 4 iso 0 dist 8.90987 16.8883 8.35971 14.3961 7.17676 6.40312 12.7435 6.68463 6.2568 7.88539 numMergedOcc 0
51 mol 236 unq 4 iso 1 dist 8.90987 16.8883 8.35971 12.7435 6.68463 6.2568 14.3961 7.17676 6.40312 7.88539 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 7.53102 6.77938 4.99891 6.58569 7.76676 5.32839 6.1415 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 6.42725 8.70769 5.30224 6.58569 7.76676 5.32839 7.53102 6.77938 4.99891 6.1415 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 12.5468 9.0012 9.74238 15.8008 9.5784 9.85579 6.20393 numMergedOcc 0
55 mol 264 unq 0 iso 1 dist 8.43858 10.2215 9.361 15.8008 9.5784 9.85579 12.5468 9.0012 9.74238 6.20393 numMergedOcc 0
56 mol 264 unq 1 iso 0 dist 8.43858 8.55312 6.24356 12.5468 9.0012 5.12409 15.8008 9.5784 9.67998 6.20393 numMergedOcc 0
57 mol 264 unq 1 iso 1 dist 8.43858 8.55312 6.24356 15.8008 9.5784 9.67998 12.5468 9.0012 5.12409 6.20393 numMergedOcc 0
