0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 10.5461 10.515 5.72491 10.672 6.57017 9.55056 10.789 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 10.2446 7.45262 8.41585 6.06176 7.88043 10.672 6.57017 9.55056 12.2708 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.36911 12.3097 6.96586 8.41585 6.06176 8.80762 10.672 6.57017 7.57354 12.2708 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.31201 5.44992 9.55056 7.10621 10.789 5.72491 9.36807 6.57017 7.45262 10.515 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.31201 5.44992 9.55056 12.2333 12.2708 7.88043 9.36807 6.57017 7.45262 6.06176 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.31201 4.74523 7.57354 12.2333 12.2708 8.80762 9.36807 6.57017 6.96586 6.06176 numMergedOcc 0
6 mol 7 unq 6 iso 0 dist 9.36807 5.44992 7.45262 7.10621 10.515 5.72491 7.31201 6.57017 9.55056 10.789 numMergedOcc 0
7 mol 7 unq 7 iso 0 dist 9.36807 5.44992 7.45262 12.2333 6.06176 7.88043 7.31201 6.57017 9.55056 12.2708 numMergedOcc 0
8 mol 7 unq 8 iso 0 dist 9.36807 4.74523 6.96586 12.2333 6.06176 8.80762 7.31201 6.57017 7.57354 12.2708 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 10.3197 11.3346 9.07858 15.4959 numMergedOcc 0
10 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 10.3197 11.3346 9.07858 12.0818 numMergedOcc 0
11 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 10.3197 11.3346 9.07858 11.4738 numMergedOcc 0
12 mol 8 unq 3 iso 0 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 10.3197 11.3346 9.07858 4.85329 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.5183 7.36192 7.99857 15.1819 8.58342 9.87025 6.35763 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 16.7981 10.6679 8.56342 15.1819 8.58342 9.87025 10.0197 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.63176 4.91132 5.85818 10.3704 7.36192 7.99857 14.0269 8.58342 9.87025 6.35763 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 8.73993 10.6679 8.56342 14.0269 8.58342 9.87025 10.0197 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 6.19042 7.61939 9.87025 9.87172 6.35763 7.99857 7.44174 8.58342 5.85818 7.36192 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 6.19042 7.61939 9.87025 12.6489 10.0197 8.56342 7.44174 8.58342 5.85818 10.6679 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 7.44174 7.61939 5.85818 9.87172 7.36192 7.99857 6.19042 8.58342 9.87025 6.35763 numMergedOcc 0
20 mol 119 unq 7 iso 0 dist 7.44174 7.61939 5.85818 12.6489 10.6679 8.56342 6.19042 8.58342 9.87025 10.0197 numMergedOcc 0
21 mol 119 unq 8 iso 0 dist 8.43904 10.326 9.87025 10.1813 6.35763 7.99857 13.4411 8.58342 5.85818 7.36192 numMergedOcc 0
22 mol 119 unq 9 iso 0 dist 8.43904 10.326 9.87025 9.72413 10.0197 8.56342 13.4411 8.58342 5.85818 10.6679 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.79146 9.44878 6.82089 14.5247 10.3933 9.28592 11.9081 6.09983 5.38314 9.16988 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 7.66168 4.28797 6.82089 10.3889 10.3933 9.28592 9.12581 6.09983 5.38314 9.16988 numMergedOcc 0
25 mol 130 unq 2 iso 0 dist 6.89257 6.97875 6.82089 15.2264 10.3933 9.28592 8.74308 6.09983 5.38314 9.16988 numMergedOcc 0
26 mol 130 unq 3 iso 0 dist 9.12581 4.28797 5.38314 10.3889 9.16988 9.28592 7.66168 6.09983 6.82089 10.3933 numMergedOcc 0
27 mol 130 unq 4 iso 0 dist 8.74308 6.97875 5.38314 15.2264 9.16988 9.28592 6.89257 6.09983 6.82089 10.3933 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 10.6877 6.01455 7.63338 14.3738 10.2334 9.40626 5.44503 numMergedOcc 0
29 mol 143 unq 1 iso 0 dist 7.7056 11.488 8.1582 12.7524 6.01455 7.63338 17.4028 10.2334 9.40626 5.44503 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 14.0374 6.46698 5.1101 5.08802 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 14.0374 6.46698 5.1101 8.59354 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.20046 5.93488 7.345 5.98885 5.4601 6.51749 7.13543 6.33699 9.52987 10.0524 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.20046 5.93488 7.345 9.09537 6.14208 7.20392 7.13543 6.33699 9.52987 5.95965 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.13543 5.93488 9.52987 5.98885 10.0524 6.51749 7.20046 6.33699 7.345 5.4601 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.13543 5.93488 9.52987 9.09537 5.95965 7.20392 7.20046 6.33699 7.345 6.14208 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 7.90031 6.74772 8.15936 12.0399 5.72073 9.18635 7.21533 5.17341 8.16598 9.94078 numMergedOcc 0
37 mol 198 unq 1 iso 0 dist 7.90031 6.74772 8.15936 13.7844 12.2117 8.10985 7.21533 5.17341 8.16598 10.8191 numMergedOcc 0
38 mol 198 unq 2 iso 0 dist 7.21533 6.74772 8.16598 12.0399 9.94078 9.18635 7.90031 5.17341 8.15936 5.72073 numMergedOcc 0
39 mol 198 unq 3 iso 0 dist 7.21533 6.74772 8.16598 13.7844 10.8191 8.10985 7.90031 5.17341 8.15936 12.2117 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 7.17547 9.17818 6.61099 8.36122 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 7.17547 9.17818 6.61099 7.47048 numMergedOcc 0
42 mol 218 unq 2 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 7.17547 9.17818 6.61099 12.7963 numMergedOcc 0
43 mol 218 unq 3 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 7.18041 9.17818 6.86795 6.05563 numMergedOcc 0
44 mol 218 unq 4 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 7.18041 9.17818 6.86795 9.68444 numMergedOcc 0
45 mol 218 unq 5 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 7.18041 9.17818 6.86795 11.4148 numMergedOcc 0
46 mol 218 unq 6 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 13.9223 9.17818 6.86795 6.05563 numMergedOcc 0
47 mol 218 unq 7 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 13.9223 9.17818 6.86795 9.68444 numMergedOcc 0
48 mol 218 unq 8 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 13.9223 9.17818 6.86795 11.4148 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 5.38637 11.1167 8.6597 10.0756 10.4664 5.64181 9.98024 6.44245 7.47235 11.2717 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 5.38637 11.1167 8.6597 10.0756 10.4664 5.64181 12.0365 12.1411 6.44735 5.17471 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 5.38637 11.1167 8.6597 10.0756 10.4664 5.64181 14.7057 13.7867 5.91208 5.03393 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 5.38637 11.1167 8.6597 14.6071 13.3539 7.61393 9.98024 6.44245 7.47235 14.7509 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 5.38637 11.1167 8.6597 14.6071 13.3539 7.61393 12.0365 12.1411 6.44735 10.7999 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 5.38637 11.1167 8.6597 14.6071 13.3539 7.61393 14.7057 13.7867 5.91208 5.49433 numMergedOcc 0
55 mol 238 unq 6 iso 0 dist 6.55759 7.83352 8.6597 7.31233 10.4664 5.64181 7.02475 6.44245 7.47235 11.2717 numMergedOcc 0
56 mol 238 unq 7 iso 0 dist 6.55759 7.83352 8.6597 7.31233 10.4664 5.64181 7.19008 12.1411 6.44735 5.17471 numMergedOcc 0
57 mol 238 unq 8 iso 0 dist 6.55759 7.83352 8.6597 7.31233 10.4664 5.64181 11.3465 13.7867 5.91208 5.03393 numMergedOcc 0
58 mol 238 unq 9 iso 0 dist 6.55759 7.83352 8.6597 13.1583 13.3539 7.61393 7.02475 6.44245 7.47235 14.7509 numMergedOcc 0
59 mol 238 unq 10 iso 0 dist 6.55759 7.83352 8.6597 13.1583 13.3539 7.61393 7.19008 12.1411 6.44735 10.7999 numMergedOcc 0
60 mol 238 unq 11 iso 0 dist 6.55759 7.83352 8.6597 13.1583 13.3539 7.61393 11.3465 13.7867 5.91208 5.49433 numMergedOcc 0
61 mol 238 unq 12 iso 0 dist 8.96531 7.69482 7.47235 12.4767 11.2717 5.64181 13.9201 6.44245 8.6597 10.4664 numMergedOcc 0
62 mol 238 unq 13 iso 0 dist 8.96531 7.69482 7.47235 12.4767 11.2717 5.64181 10.0962 10.1756 6.44735 5.17471 numMergedOcc 0
63 mol 238 unq 14 iso 0 dist 8.96531 7.69482 7.47235 12.4767 11.2717 5.64181 10.5309 13.0634 5.91208 5.03393 numMergedOcc 0
64 mol 238 unq 15 iso 0 dist 8.96531 7.69482 7.47235 13.6867 14.7509 7.61393 13.9201 6.44245 8.6597 13.3539 numMergedOcc 0
65 mol 238 unq 16 iso 0 dist 8.96531 7.69482 7.47235 13.6867 14.7509 7.61393 10.0962 10.1756 6.44735 10.7999 numMergedOcc 0
66 mol 238 unq 17 iso 0 dist 8.96531 7.69482 7.47235 13.6867 14.7509 7.61393 10.5309 13.0634 5.91208 5.49433 numMergedOcc 0
67 mol 238 unq 18 iso 0 dist 7.02475 7.83352 7.47235 7.31233 11.2717 5.64181 6.55759 6.44245 8.6597 10.4664 numMergedOcc 0
68 mol 238 unq 19 iso 0 dist 7.02475 7.83352 7.47235 7.31233 11.2717 5.64181 7.19008 10.1756 6.44735 5.17471 numMergedOcc 0
69 mol 238 unq 20 iso 0 dist 7.02475 7.83352 7.47235 7.31233 11.2717 5.64181 11.3465 13.0634 5.91208 5.03393 numMergedOcc 0
70 mol 238 unq 21 iso 0 dist 7.02475 7.83352 7.47235 13.1583 14.7509 7.61393 6.55759 6.44245 8.6597 13.3539 numMergedOcc 0
71 mol 238 unq 22 iso 0 dist 7.02475 7.83352 7.47235 13.1583 14.7509 7.61393 7.19008 10.1756 6.44735 10.7999 numMergedOcc 0
72 mol 238 unq 23 iso 0 dist 7.02475 7.83352 7.47235 13.1583 14.7509 7.61393 11.3465 13.0634 5.91208 5.49433 numMergedOcc 0
73 mol 238 unq 24 iso 0 dist 7.67322 11.0349 7.61203 11.5794 11.6239 5.52379 12.3367 5.39292 9.47845 13.9614 numMergedOcc 0
74 mol 238 unq 25 iso 0 dist 7.67322 11.0349 7.61203 11.5794 11.6239 5.52379 13.5581 6.32518 6.92409 12.3042 numMergedOcc 0
75 mol 238 unq 26 iso 0 dist 7.67322 11.0349 7.61203 11.5794 11.6239 5.52379 7.19008 9.50847 6.89694 5.54325 numMergedOcc 0
76 mol 238 unq 27 iso 0 dist 9.68513 5.87253 9.47845 10.0419 13.9614 5.52379 10.7532 5.39292 7.61203 11.6239 numMergedOcc 0
77 mol 238 unq 28 iso 0 dist 9.68513 5.87253 9.47845 10.0419 13.9614 5.52379 5.9216 4.83721 6.92409 12.3042 numMergedOcc 0
78 mol 238 unq 29 iso 0 dist 9.68513 5.87253 9.47845 10.0419 13.9614 5.52379 12.746 13.7203 6.89694 5.54325 numMergedOcc 0
79 mol 238 unq 30 iso 0 dist 9.29858 10.7551 9.47845 12.2442 13.9614 5.52379 12.1104 5.39292 7.61203 11.6239 numMergedOcc 0
80 mol 238 unq 31 iso 0 dist 9.29858 10.7551 9.47845 12.2442 13.9614 5.52379 10.7386 4.83721 6.92409 12.3042 numMergedOcc 0
81 mol 238 unq 32 iso 0 dist 9.29858 10.7551 9.47845 12.2442 13.9614 5.52379 15.0465 13.7203 6.89694 5.54325 numMergedOcc 0
82 mol 238 unq 33 iso 0 dist 9.90142 10.7508 6.92409 13.6591 12.3042 5.52379 15.1933 6.32518 7.61203 11.6239 numMergedOcc 0
83 mol 238 unq 34 iso 0 dist 9.90142 10.7508 6.92409 13.6591 12.3042 5.52379 12.5477 4.83721 9.47845 13.9614 numMergedOcc 0
84 mol 238 unq 35 iso 0 dist 9.90142 10.7508 6.92409 13.6591 12.3042 5.52379 17.4175 12.6266 6.89694 5.54325 numMergedOcc 0
85 mol 238 unq 36 iso 0 dist 5.9216 5.87253 6.92409 10.0419 12.3042 5.52379 10.7532 6.32518 7.61203 11.6239 numMergedOcc 0
86 mol 238 unq 37 iso 0 dist 5.9216 5.87253 6.92409 10.0419 12.3042 5.52379 9.68513 4.83721 9.47845 13.9614 numMergedOcc 0
87 mol 238 unq 38 iso 0 dist 5.9216 5.87253 6.92409 10.0419 12.3042 5.52379 12.746 12.6266 6.89694 5.54325 numMergedOcc 0
88 mol 238 unq 39 iso 0 dist 7.49471 13.0113 6.89694 11.0896 5.54325 5.52379 12.1937 9.50847 7.61203 11.6239 numMergedOcc 0
89 mol 238 unq 40 iso 0 dist 7.49471 13.0113 6.89694 11.0896 5.54325 5.52379 16.2555 13.7203 9.47845 13.9614 numMergedOcc 0
90 mol 238 unq 41 iso 0 dist 7.49471 13.0113 6.89694 11.0896 5.54325 5.52379 17.2889 12.6266 6.92409 12.3042 numMergedOcc 0
91 mol 238 unq 42 iso 0 dist 7.49471 10.216 6.44735 6.22714 5.17471 5.64181 10.5202 12.1411 8.6597 10.4664 numMergedOcc 0
92 mol 238 unq 43 iso 0 dist 7.49471 10.216 6.44735 6.22714 5.17471 5.64181 12.1784 10.1756 7.47235 11.2717 numMergedOcc 0
93 mol 238 unq 44 iso 0 dist 7.49471 10.216 6.44735 6.22714 5.17471 5.64181 10.9946 6.34909 5.91208 5.03393 numMergedOcc 0
94 mol 238 unq 45 iso 0 dist 7.49471 10.216 6.44735 12.6642 10.7999 7.61393 10.5202 12.1411 8.6597 13.3539 numMergedOcc 0
95 mol 238 unq 46 iso 0 dist 7.49471 10.216 6.44735 12.6642 10.7999 7.61393 12.1784 10.1756 7.47235 14.7509 numMergedOcc 0
96 mol 238 unq 47 iso 0 dist 7.49471 10.216 6.44735 12.6642 10.7999 7.61393 10.9946 6.34909 5.91208 5.49433 numMergedOcc 0
97 mol 238 unq 48 iso 0 dist 7.19008 11.0349 6.89694 11.5794 5.54325 5.52379 7.67322 9.50847 7.61203 11.6239 numMergedOcc 0
98 mol 238 unq 49 iso 0 dist 7.19008 11.0349 6.89694 11.5794 5.54325 5.52379 12.3367 13.7203 9.47845 13.9614 numMergedOcc 0
99 mol 238 unq 50 iso 0 dist 7.19008 11.0349 6.89694 11.5794 5.54325 5.52379 13.5581 12.6266 6.92409 12.3042 numMergedOcc 0
100 mol 238 unq 51 iso 0 dist 7.19008 7.83352 6.44735 7.31233 5.17471 5.64181 6.55759 12.1411 8.6597 10.4664 numMergedOcc 0
101 mol 238 unq 52 iso 0 dist 7.19008 7.83352 6.44735 7.31233 5.17471 5.64181 7.02475 10.1756 7.47235 11.2717 numMergedOcc 0
102 mol 238 unq 53 iso 0 dist 7.19008 7.83352 6.44735 7.31233 5.17471 5.64181 11.3465 6.34909 5.91208 5.03393 numMergedOcc 0
103 mol 238 unq 54 iso 0 dist 7.19008 7.83352 6.44735 13.1583 10.7999 7.61393 6.55759 12.1411 8.6597 13.3539 numMergedOcc 0
104 mol 238 unq 55 iso 0 dist 7.19008 7.83352 6.44735 13.1583 10.7999 7.61393 7.02475 10.1756 7.47235 14.7509 numMergedOcc 0
105 mol 238 unq 56 iso 0 dist 7.19008 7.83352 6.44735 13.1583 10.7999 7.61393 11.3465 6.34909 5.91208 5.49433 numMergedOcc 0
106 mol 239 unq 0 iso 0 dist 7.39747 5.66732 7.18771 13.6473 10.0774 8.67805 8.1777 4.89061 7.94894 9.8202 numMergedOcc 0
107 mol 239 unq 1 iso 0 dist 8.1777 5.66732 7.94894 13.6473 9.8202 8.67805 7.39747 4.89061 7.18771 10.0774 numMergedOcc 0
108 mol 252 unq 0 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 10.765 9.93756 5.57515 13.6996 numMergedOcc 0
109 mol 252 unq 1 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 13.5038 11.2543 8.28694 15.4395 numMergedOcc 0
110 mol 252 unq 2 iso 0 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 10.765 9.93756 5.57515 7.35945 numMergedOcc 0
111 mol 252 unq 3 iso 0 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 13.5038 11.2543 8.28694 5.26003 numMergedOcc 0
