0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 12.7627 4.22598 8.31596 18.2113 9.53906 11.6716 5.75315 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.72725 14.2251 8.66548 12.7627 4.22598 6.3267 18.2113 9.53906 6.78129 5.75315 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.26268 6.68431 8.74576 8.68559 5.57199 7.48825 10.7345 11.9642 8.73368 7.11053 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.18022 5.32981 7.79336 10.4347 10.3961 8.55901 4.55481 7.01952 4.22398 5.91068 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.24711 5.32981 7.08559 10.4347 7.52709 8.55901 4.55481 4.58552 4.22398 5.91068 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.74228 6.00418 9.14817 8.624 9.88768 9.19459 5.72408 13.1318 5.11318 9.37102 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.74228 6.00418 9.14817 8.624 9.88768 9.19459 3.94376 10.6668 6.74416 5.4605 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.74228 6.00418 9.14817 8.624 9.88768 9.19459 6.19288 10.9996 10.7904 6.53824 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 9.74228 6.00418 9.14817 10.0983 12.6041 8.59747 5.72408 13.1318 5.11318 7.93683 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 9.74228 6.00418 9.14817 10.0983 12.6041 8.59747 3.94376 10.6668 6.74416 6.7272 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 9.74228 6.00418 9.14817 10.0983 12.6041 8.59747 10.1959 13.9797 5.63793 7.64009 numMergedOcc 0
11 mol 72 unq 6 iso 0 dist 7.12321 9.0131 9.14817 6.77912 9.88768 9.19459 10.0679 13.1318 5.11318 9.37102 numMergedOcc 0
12 mol 72 unq 7 iso 0 dist 7.12321 9.0131 9.14817 6.77912 9.88768 9.19459 5.69391 10.6668 6.74416 5.4605 numMergedOcc 0
13 mol 72 unq 8 iso 0 dist 7.12321 9.0131 9.14817 6.77912 9.88768 9.19459 4.03844 10.9996 10.7904 6.53824 numMergedOcc 0
14 mol 72 unq 9 iso 0 dist 7.12321 9.0131 9.14817 10.4676 12.6041 8.59747 10.0679 13.1318 5.11318 7.93683 numMergedOcc 0
15 mol 72 unq 10 iso 0 dist 7.12321 9.0131 9.14817 10.4676 12.6041 8.59747 5.69391 10.6668 6.74416 6.7272 numMergedOcc 0
16 mol 72 unq 11 iso 0 dist 7.12321 9.0131 9.14817 10.4676 12.6041 8.59747 13.4212 13.9797 5.63793 7.64009 numMergedOcc 0
17 mol 72 unq 12 iso 0 dist 6.21799 6.11922 9.14817 11.9814 9.88768 9.19459 10.1392 13.1318 5.11318 9.37102 numMergedOcc 0
18 mol 72 unq 13 iso 0 dist 6.21799 6.11922 9.14817 11.9814 9.88768 9.19459 9.78221 10.6668 6.74416 5.4605 numMergedOcc 0
19 mol 72 unq 14 iso 0 dist 6.21799 6.11922 9.14817 11.9814 9.88768 9.19459 11.5881 10.9996 10.7904 6.53824 numMergedOcc 0
20 mol 72 unq 15 iso 0 dist 6.21799 6.11922 9.14817 13.3943 12.6041 8.59747 10.1392 13.1318 5.11318 7.93683 numMergedOcc 0
21 mol 72 unq 16 iso 0 dist 6.21799 6.11922 9.14817 13.3943 12.6041 8.59747 9.78221 10.6668 6.74416 6.7272 numMergedOcc 0
22 mol 72 unq 17 iso 0 dist 6.21799 6.11922 9.14817 13.3943 12.6041 8.59747 11.6634 13.9797 5.63793 7.64009 numMergedOcc 0
23 mol 72 unq 18 iso 0 dist 5.03251 6.11922 9.76686 11.9814 12.9007 9.19459 10.1392 14.2158 5.11318 9.37102 numMergedOcc 0
24 mol 72 unq 19 iso 0 dist 5.03251 6.11922 9.76686 11.9814 12.9007 9.19459 9.78221 12.6707 6.74416 5.4605 numMergedOcc 0
25 mol 72 unq 20 iso 0 dist 5.03251 6.11922 9.76686 11.9814 12.9007 9.19459 11.5881 13.3434 10.7904 6.53824 numMergedOcc 0
26 mol 72 unq 21 iso 0 dist 5.03251 6.11922 9.76686 13.3943 15.1279 8.59747 10.1392 14.2158 5.11318 7.93683 numMergedOcc 0
27 mol 72 unq 22 iso 0 dist 5.03251 6.11922 9.76686 13.3943 15.1279 8.59747 9.78221 12.6707 6.74416 6.7272 numMergedOcc 0
28 mol 72 unq 23 iso 0 dist 5.03251 6.11922 9.76686 13.3943 15.1279 8.59747 11.6634 14.9302 5.63793 7.64009 numMergedOcc 0
29 mol 72 unq 24 iso 0 dist 9.56773 9.93049 9.76686 15.4914 12.9007 9.19459 11.7963 14.2158 5.11318 9.37102 numMergedOcc 0
30 mol 72 unq 25 iso 0 dist 9.56773 9.93049 9.76686 15.4914 12.9007 9.19459 11.6805 12.6707 6.74416 5.4605 numMergedOcc 0
31 mol 72 unq 26 iso 0 dist 9.56773 9.93049 9.76686 15.4914 12.9007 9.19459 12.5604 13.3434 10.7904 6.53824 numMergedOcc 0
32 mol 72 unq 27 iso 0 dist 9.56773 9.93049 9.76686 17.1463 15.1279 8.59747 11.7963 14.2158 5.11318 7.93683 numMergedOcc 0
33 mol 72 unq 28 iso 0 dist 9.56773 9.93049 9.76686 17.1463 15.1279 8.59747 11.6805 12.6707 6.74416 6.7272 numMergedOcc 0
34 mol 72 unq 29 iso 0 dist 9.56773 9.93049 9.76686 17.1463 15.1279 8.59747 15.0472 14.9302 5.63793 7.64009 numMergedOcc 0
35 mol 72 unq 30 iso 0 dist 7.66093 6.11922 9.437 11.9814 12.9235 9.19459 10.1392 14.4171 5.11318 9.37102 numMergedOcc 0
36 mol 72 unq 31 iso 0 dist 7.66093 6.11922 9.437 11.9814 12.9235 9.19459 9.78221 13.7925 6.74416 5.4605 numMergedOcc 0
37 mol 72 unq 32 iso 0 dist 7.66093 6.11922 9.437 11.9814 12.9235 9.19459 11.5881 15.6712 10.7904 6.53824 numMergedOcc 0
38 mol 72 unq 33 iso 0 dist 7.66093 6.11922 9.437 13.3943 13.879 8.59747 10.1392 14.4171 5.11318 7.93683 numMergedOcc 0
39 mol 72 unq 34 iso 0 dist 7.66093 6.11922 9.437 13.3943 13.879 8.59747 9.78221 13.7925 6.74416 6.7272 numMergedOcc 0
40 mol 72 unq 35 iso 0 dist 7.66093 6.11922 9.437 13.3943 13.879 8.59747 11.6634 13.1216 5.63793 7.64009 numMergedOcc 0
41 mol 72 unq 36 iso 0 dist 9.55118 7.11552 5.4605 7.321 6.74416 9.19459 7.47371 10.6668 9.88768 9.14817 numMergedOcc 0
42 mol 72 unq 37 iso 0 dist 9.55118 7.11552 5.4605 7.321 6.74416 9.19459 9.67587 12.6707 12.9007 9.76686 numMergedOcc 0
43 mol 72 unq 38 iso 0 dist 9.55118 7.11552 5.4605 7.321 6.74416 9.19459 7.07356 13.7925 12.9235 9.437 numMergedOcc 0
44 mol 72 unq 39 iso 0 dist 9.55118 7.17489 6.7272 7.321 6.74416 8.59747 7.47371 10.6668 12.6041 9.14817 numMergedOcc 0
45 mol 72 unq 40 iso 0 dist 9.55118 7.17489 6.7272 7.321 6.74416 8.59747 9.67587 12.6707 15.1279 9.76686 numMergedOcc 0
46 mol 72 unq 41 iso 0 dist 9.55118 7.17489 6.7272 7.321 6.74416 8.59747 7.07356 13.7925 13.879 9.437 numMergedOcc 0
47 mol 72 unq 42 iso 0 dist 9.10345 7.17489 7.64009 7.321 5.63793 8.59747 7.47371 13.9797 12.6041 9.14817 numMergedOcc 0
48 mol 72 unq 43 iso 0 dist 9.10345 7.17489 7.64009 7.321 5.63793 8.59747 9.67587 14.9302 15.1279 9.76686 numMergedOcc 0
49 mol 72 unq 44 iso 0 dist 9.10345 7.17489 7.64009 7.321 5.63793 8.59747 7.07356 13.1216 13.879 9.437 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 6.24825 10.2377 7.65255 7.76729 5.78043 6.40036 6.63111 7.65564 5.65471 8.0168 numMergedOcc 0
51 mol 115 unq 1 iso 0 dist 6.39384 10.7942 8.0168 7.64585 5.65471 6.40036 6.95773 7.65564 5.78043 7.65255 numMergedOcc 0
52 mol 115 unq 2 iso 0 dist 9.42082 10.9739 8.0168 12.2309 5.65471 6.40036 6.01673 7.65564 5.78043 7.65255 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 11.0162 5.58312 6.4218 9.84074 9.54071 11.3936 5.52149 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 5.35237 8.96357 6.57379 13.0127 9.61537 6.4218 15.8453 13.1518 11.3936 5.52149 numMergedOcc 0
55 mol 134 unq 2 iso 0 dist 9.00918 5.9915 5.73203 8.94837 5.58312 6.4218 11.5407 9.54071 11.3936 5.52149 numMergedOcc 0
56 mol 134 unq 3 iso 0 dist 7.99477 5.9915 6.57379 8.94837 9.61537 6.4218 11.5407 13.1518 11.3936 5.52149 numMergedOcc 0
57 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 5.50387 3.92979 8.75834 4.7456 9.81207 11.3004 5.93063 numMergedOcc 0
58 mol 225 unq 1 iso 0 dist 8.1945 7.12954 9.59574 5.50387 3.92979 9.36396 4.7456 9.81207 11.0634 5.93063 numMergedOcc 0
59 mol 225 unq 2 iso 0 dist 6.50998 8.69249 8.91356 9.88956 3.92979 8.75834 15.3924 9.81207 11.3004 5.93063 numMergedOcc 0
60 mol 225 unq 3 iso 0 dist 6.50998 14.2819 9.59574 9.88956 3.92979 9.36396 15.3924 9.81207 11.0634 5.93063 numMergedOcc 0
61 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 9.5707 11.8229 8.49841 3.95629 11.2575 6.00588 8.27411 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 7.81215 5.56749 9.11572 9.5707 11.8229 8.49841 15.9732 15.8278 14.8966 6.96257 numMergedOcc 0
63 mol 234 unq 2 iso 0 dist 7.81215 12.1076 7.20293 9.5707 11.8229 9.6101 3.95629 11.2575 13.9373 8.27411 numMergedOcc 0
64 mol 234 unq 3 iso 0 dist 7.81215 12.1076 7.20293 9.5707 11.8229 9.6101 15.9732 15.8278 10.72 6.96257 numMergedOcc 0
65 mol 234 unq 4 iso 0 dist 5.64285 8.0608 9.11572 11.8897 11.8229 8.49841 12.8018 11.2575 6.00588 8.27411 numMergedOcc 0
66 mol 234 unq 5 iso 0 dist 5.64285 8.0608 9.11572 11.8897 11.8229 8.49841 15.5702 15.8278 14.8966 6.96257 numMergedOcc 0
67 mol 234 unq 6 iso 0 dist 5.64285 6.29366 7.20293 11.8897 11.8229 9.6101 12.8018 11.2575 13.9373 8.27411 numMergedOcc 0
68 mol 234 unq 7 iso 0 dist 5.64285 6.29366 7.20293 11.8897 11.8229 9.6101 15.5702 15.8278 10.72 6.96257 numMergedOcc 0
69 mol 238 unq 0 iso 0 dist 9.12776 8.82861 9.84652 7.02475 13.037 6.65088 10.4966 15.1027 6.29757 6.85253 numMergedOcc 0
70 mol 238 unq 1 iso 0 dist 9.12776 8.82861 9.84652 7.67322 9.75095 6.5772 5.71717 4.66186 9.79637 7.39547 numMergedOcc 0
71 mol 238 unq 2 iso 0 dist 9.12776 8.82861 9.84652 7.19008 6.12722 6.17025 11.0772 9.51483 4.02449 5.43613 numMergedOcc 0
72 mol 238 unq 3 iso 0 dist 9.12776 8.82861 9.84652 7.19008 6.12722 6.17025 5.71717 4.66186 9.79637 7.24334 numMergedOcc 0
73 mol 238 unq 4 iso 0 dist 9.12776 8.82861 9.84652 11.3465 12.1711 9.0378 14.0512 11.9473 5.70572 9.82327 numMergedOcc 0
74 mol 238 unq 5 iso 0 dist 9.12776 8.82861 9.84652 11.3465 12.1711 9.0378 11.0772 9.51483 4.02449 7.06768 numMergedOcc 0
75 mol 238 unq 6 iso 0 dist 9.12776 8.82861 9.84652 11.3465 12.1711 9.0378 10.4966 15.1027 6.29757 9.08687 numMergedOcc 0
76 mol 238 unq 7 iso 0 dist 9.72188 15.5674 9.84652 17.436 13.037 6.65088 21.5308 15.1027 6.29757 6.85253 numMergedOcc 0
77 mol 238 unq 8 iso 0 dist 9.72188 15.5674 9.84652 12.1104 9.75095 6.5772 10.4706 4.66186 9.79637 7.39547 numMergedOcc 0
78 mol 238 unq 9 iso 0 dist 9.72188 15.5674 9.84652 15.0465 6.12722 6.17025 16.2734 9.51483 4.02449 5.43613 numMergedOcc 0
79 mol 238 unq 10 iso 0 dist 9.72188 15.5674 9.84652 15.0465 6.12722 6.17025 10.4706 4.66186 9.79637 7.24334 numMergedOcc 0
80 mol 238 unq 11 iso 0 dist 9.72188 15.5674 9.84652 21.1924 12.1711 9.0378 17.0707 11.9473 5.70572 9.82327 numMergedOcc 0
81 mol 238 unq 12 iso 0 dist 9.72188 15.5674 9.84652 21.1924 12.1711 9.0378 16.2734 9.51483 4.02449 7.06768 numMergedOcc 0
82 mol 238 unq 13 iso 0 dist 9.72188 15.5674 9.84652 21.1924 12.1711 9.0378 21.5308 15.1027 6.29757 9.08687 numMergedOcc 0
83 mol 238 unq 14 iso 0 dist 9.07475 10.0613 9.82327 9.10743 5.70572 9.0378 4.48415 11.9473 12.1711 9.84652 numMergedOcc 0
84 mol 238 unq 15 iso 0 dist 6.99888 5.54325 5.43613 9.10743 4.02449 6.17025 4.48415 9.51483 6.12722 9.84652 numMergedOcc 0
85 mol 238 unq 16 iso 0 dist 6.99888 10.0613 7.06768 9.10743 4.02449 9.0378 4.48415 9.51483 12.1711 9.84652 numMergedOcc 0
86 mol 238 unq 17 iso 0 dist 9.08509 5.17471 5.43613 9.38422 4.02449 6.17025 10.3162 9.51483 6.12722 9.84652 numMergedOcc 0
87 mol 238 unq 18 iso 0 dist 9.08509 5.03393 7.06768 9.38422 4.02449 9.0378 10.3162 9.51483 12.1711 9.84652 numMergedOcc 0
88 mol 272 unq 0 iso 0 dist 6.44147 6.64985 8.84523 10.597 10.2399 6.75716 9.74916 13.5525 9.96809 9.19905 numMergedOcc 0
