0 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 7.64353 4.51865 5.80928 10.4834 8.40416 9.74255 7.08342 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.41045 7.64353 4.51865 13.3276 8.4674 5.80928 10.4834 8.40416 7.08342 9.74255 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 13.1056 6.20293 8.13395 11.3298 8.95682 6.18002 8.38399 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 11.3298 8.95682 8.38399 6.18002 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 5.82428 8.84665 12.5396 3.85789 6.73347 9.64444 4.36133 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 9.83775 5.82428 8.84665 13.0222 7.71095 12.5396 3.85789 6.73347 4.36133 9.64444 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.83775 13.0222 7.71095 10.1226 8.25513 8.19458 3.85789 6.73347 9.64444 6.66692 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 9.83775 10.1226 8.25513 13.0222 7.71095 8.19458 3.85789 6.73347 6.66692 9.64444 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 9.83775 5.82428 8.84665 10.1226 8.25513 6.40295 3.85789 6.73347 4.36133 6.66692 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 9.83775 10.1226 8.25513 5.82428 8.84665 6.40295 3.85789 6.73347 6.66692 4.36133 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 14.7042 9.24757 5.11416 6.56633 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 14.7042 9.24757 6.56633 5.11416 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 14.7042 9.24757 5.11416 15.3808 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 14.7042 9.24757 15.3808 5.11416 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 14.7042 9.24757 6.56633 15.3808 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 14.7042 9.24757 15.3808 6.56633 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.9705 6.19965 4.26409 13.5302 7.54568 10.2865 8.09967 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 13.5302 7.54568 8.09967 10.2865 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 9.67557 6.53819 7.95579 15.3279 7.66905 10.7229 13.5302 7.54568 10.2865 4.65335 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 13.5302 7.54568 4.65335 10.2865 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 13.5302 7.54568 8.09967 4.65335 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 13.5302 7.54568 4.65335 8.09967 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 9.54167 9.64443 13.1316 4.92054 8.91313 17.5889 13.3881 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 4.92054 8.91313 13.3881 17.5889 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 9.54167 9.64443 13.1316 6.7197 8.16392 10.8304 5.90097 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 6.7197 8.16392 5.90097 10.8304 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 5.71475 7.17106 11.5403 12.5859 7.01812 5.80144 8.4128 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 7.689 5.71475 7.17106 14.9329 9.60661 11.5403 12.5859 7.01812 8.4128 5.80144 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.689 14.9329 9.60661 10.3954 9.35224 7.80879 12.5859 7.01812 5.80144 10.0456 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 7.689 10.3954 9.35224 14.9329 9.60661 7.80879 12.5859 7.01812 10.0456 5.80144 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 10.3954 9.35224 8.87654 12.5859 7.01812 8.4128 10.0456 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 7.689 10.3954 9.35224 5.71475 7.17106 8.87654 12.5859 7.01812 10.0456 8.4128 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 10.6748 8.30845 12.2861 5.80144 numMergedOcc 0
33 mol 100 unq 2 iso 1 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 10.6748 8.30845 5.80144 12.2861 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 9.64716 8.76378 15.5385 12.3577 numMergedOcc 0
35 mol 100 unq 3 iso 1 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 9.64716 8.76378 12.3577 15.5385 numMergedOcc 0
36 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 10.6748 8.30845 12.2861 10.0456 numMergedOcc 0
37 mol 100 unq 4 iso 1 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 10.6748 8.30845 10.0456 12.2861 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 9.64716 8.76378 15.5385 4.97045 numMergedOcc 0
39 mol 100 unq 5 iso 1 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 9.64716 8.76378 4.97045 15.5385 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 10.6748 8.30845 12.2861 6.70236 numMergedOcc 0
41 mol 100 unq 6 iso 1 dist 9.22737 5.05858 9.30209 12.9061 7.47343 13.887 10.6748 8.30845 6.70236 12.2861 numMergedOcc 0
42 mol 100 unq 7 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 9.64716 8.76378 15.5385 10.7791 numMergedOcc 0
43 mol 100 unq 7 iso 1 dist 9.22737 5.05858 9.30209 12.9061 7.47343 13.887 9.64716 8.76378 10.7791 15.5385 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 10.6748 8.30845 5.80144 10.0456 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 10.6748 8.30845 10.0456 5.80144 numMergedOcc 0
46 mol 100 unq 5 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 9.64716 8.76378 12.3577 4.97045 numMergedOcc 0
47 mol 100 unq 5 iso 1 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 9.64716 8.76378 4.97045 12.3577 numMergedOcc 0
48 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 10.6748 8.30845 5.80144 6.70236 numMergedOcc 0
49 mol 100 unq 6 iso 1 dist 9.22737 5.05858 9.30209 6.60925 6.65086 5.38414 10.6748 8.30845 6.70236 5.80144 numMergedOcc 0
50 mol 100 unq 7 iso 0 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 9.64716 8.76378 12.3577 10.7791 numMergedOcc 0
51 mol 100 unq 7 iso 1 dist 9.22737 5.05858 9.30209 6.60925 6.65086 5.38414 9.64716 8.76378 10.7791 12.3577 numMergedOcc 0
52 mol 100 unq 6 iso 0 dist 9.22737 4.95357 6.56369 5.05858 9.30209 6.39938 10.6748 8.30845 10.0456 6.70236 numMergedOcc 0
53 mol 100 unq 6 iso 1 dist 9.22737 5.05858 9.30209 4.95357 6.56369 6.39938 10.6748 8.30845 6.70236 10.0456 numMergedOcc 0
54 mol 100 unq 7 iso 0 dist 9.22737 4.95357 6.56369 5.05858 9.30209 6.39938 9.64716 8.76378 4.97045 10.7791 numMergedOcc 0
55 mol 100 unq 7 iso 1 dist 9.22737 5.05858 9.30209 4.95357 6.56369 6.39938 9.64716 8.76378 10.7791 4.97045 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.65283 6.49416 5.00526 12.3839 7.80532 7.41674 9.87376 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 12.3839 7.80532 9.87376 7.41674 numMergedOcc 0
58 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 10.2677 8.51516 10.8344 4.29037 9.68728 7.67571 10.8573 numMergedOcc 0
59 mol 204 unq 0 iso 1 dist 9.44947 10.2677 8.51516 10.5243 7.10633 10.8344 4.29037 9.68728 10.8573 7.67571 numMergedOcc 0
60 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 11.993 7.26832 7.38516 5.63231 6.03688 8.15057 12.4957 numMergedOcc 0
61 mol 205 unq 0 iso 1 dist 8.52924 11.993 7.26832 7.17157 6.03031 7.38516 5.63231 6.03688 12.4957 8.15057 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 8.52924 7.17157 6.03031 9.67882 7.80463 8.18714 5.63231 6.03688 8.15057 6.09749 numMergedOcc 0
63 mol 205 unq 1 iso 1 dist 8.52924 9.67882 7.80463 7.17157 6.03031 8.18714 5.63231 6.03688 6.09749 8.15057 numMergedOcc 0
64 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 9.67882 7.80463 13.8543 5.63231 6.03688 12.4957 6.09749 numMergedOcc 0
65 mol 205 unq 1 iso 1 dist 8.52924 9.67882 7.80463 11.993 7.26832 13.8543 5.63231 6.03688 6.09749 12.4957 numMergedOcc 0
66 mol 205 unq 2 iso 0 dist 6.94789 6.98812 9.61492 12.019 7.45763 11.8283 10.0824 4.8668 9.13652 5.8535 numMergedOcc 0
67 mol 205 unq 2 iso 1 dist 6.94789 12.019 7.45763 6.98812 9.61492 11.8283 10.0824 4.8668 5.8535 9.13652 numMergedOcc 0
68 mol 205 unq 3 iso 0 dist 6.23932 13.4557 9.61492 4.37383 7.45763 11.8283 5.00854 4.8668 9.13652 5.8535 numMergedOcc 0
69 mol 205 unq 3 iso 1 dist 6.23932 4.37383 7.45763 13.4557 9.61492 11.8283 5.00854 4.8668 5.8535 9.13652 numMergedOcc 0
70 mol 206 unq 0 iso 0 dist 8.95375 6.84704 8.02137 7.72969 9.774 10.4 11.6019 7.75885 12.7604 6.45859 numMergedOcc 0
71 mol 206 unq 0 iso 1 dist 8.95375 7.72969 9.774 6.84704 8.02137 10.4 11.6019 7.75885 6.45859 12.7604 numMergedOcc 0
72 mol 206 unq 1 iso 0 dist 9.29007 12.4178 8.02137 9.9578 9.774 10.4 6.64436 7.75885 12.7604 6.45859 numMergedOcc 0
73 mol 206 unq 1 iso 1 dist 9.29007 9.9578 9.774 12.4178 8.02137 10.4 6.64436 7.75885 6.45859 12.7604 numMergedOcc 0
74 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 6.49768 9.07471 7.75466 13.3447 numMergedOcc 0
75 mol 222 unq 0 iso 1 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 6.49768 9.07471 13.3447 7.75466 numMergedOcc 0
76 mol 222 unq 1 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 10.3035 9.07471 7.75466 13.3447 numMergedOcc 0
77 mol 222 unq 1 iso 1 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 10.3035 9.07471 13.3447 7.75466 numMergedOcc 0
78 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 4.93623 6.56247 6.29886 6.30638 9.81425 4.3717 4.46561 numMergedOcc 0
79 mol 234 unq 0 iso 1 dist 5.46736 4.93623 6.56247 4.82695 8.34494 6.29886 6.30638 9.81425 4.46561 4.3717 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 5.46736 4.82695 8.34494 11.7817 9.36357 12.1694 6.30638 9.81425 4.3717 10.641 numMergedOcc 0
81 mol 234 unq 1 iso 1 dist 5.46736 11.7817 9.36357 4.82695 8.34494 12.1694 6.30638 9.81425 10.641 4.3717 numMergedOcc 0
82 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 11.7817 9.36357 7.82322 6.30638 9.81425 4.46561 10.641 numMergedOcc 0
83 mol 234 unq 1 iso 1 dist 5.46736 11.7817 9.36357 4.93623 6.56247 7.82322 6.30638 9.81425 10.641 4.46561 numMergedOcc 0
84 mol 249 unq 0 iso 0 dist 6.26142 5.59015 7.57994 4.77325 6.18582 5.01979 9.55793 5.48118 10.7772 7.04666 numMergedOcc 0
85 mol 249 unq 0 iso 1 dist 6.26142 4.77325 6.18582 5.59015 7.57994 5.01979 9.55793 5.48118 7.04666 10.7772 numMergedOcc 0
86 mol 261 unq 0 iso 0 dist 5.00128 9.40373 8.02547 5.09097 8.43057 10.0727 6.76449 8.43974 5.91643 8.29908 numMergedOcc 0
87 mol 261 unq 0 iso 1 dist 5.00128 5.09097 8.43057 9.40373 8.02547 10.0727 6.76449 8.43974 8.29908 5.91643 numMergedOcc 0
88 mol 261 unq 1 iso 0 dist 5.00128 9.40373 8.02547 4.86901 6.05727 5.51688 6.76449 8.43974 5.91643 5.02383 numMergedOcc 0
89 mol 261 unq 1 iso 1 dist 5.00128 4.86901 6.05727 9.40373 8.02547 5.51688 6.76449 8.43974 5.02383 5.91643 numMergedOcc 0
90 mol 261 unq 1 iso 0 dist 5.00128 5.09097 8.43057 4.86901 6.05727 4.63549 6.76449 8.43974 8.29908 5.02383 numMergedOcc 0
91 mol 261 unq 1 iso 1 dist 5.00128 4.86901 6.05727 5.09097 8.43057 4.63549 6.76449 8.43974 5.02383 8.29908 numMergedOcc 0
92 mol 261 unq 2 iso 0 dist 6.58604 10.3517 8.02547 11.9784 8.43057 10.0727 7.91847 8.43974 5.91643 8.29908 numMergedOcc 0
93 mol 261 unq 2 iso 1 dist 6.58604 11.9784 8.43057 10.3517 8.02547 10.0727 7.91847 8.43974 8.29908 5.91643 numMergedOcc 0
94 mol 261 unq 3 iso 0 dist 6.58604 10.3517 8.02547 9.47323 6.05727 5.51688 7.91847 8.43974 5.91643 5.02383 numMergedOcc 0
95 mol 261 unq 3 iso 1 dist 6.58604 9.47323 6.05727 10.3517 8.02547 5.51688 7.91847 8.43974 5.02383 5.91643 numMergedOcc 0
96 mol 261 unq 3 iso 0 dist 6.58604 11.9784 8.43057 9.47323 6.05727 4.63549 7.91847 8.43974 8.29908 5.02383 numMergedOcc 0
97 mol 261 unq 3 iso 1 dist 6.58604 9.47323 6.05727 11.9784 8.43057 4.63549 7.91847 8.43974 5.02383 8.29908 numMergedOcc 0
98 mol 261 unq 4 iso 0 dist 7.30472 6.43209 8.02547 11.6843 8.43057 10.0727 5.08716 8.43974 5.91643 8.29908 numMergedOcc 0
99 mol 261 unq 4 iso 1 dist 7.30472 11.6843 8.43057 6.43209 8.02547 10.0727 5.08716 8.43974 8.29908 5.91643 numMergedOcc 0
100 mol 261 unq 5 iso 0 dist 7.30472 6.43209 8.02547 7.78464 6.05727 5.51688 5.08716 8.43974 5.91643 5.02383 numMergedOcc 0
101 mol 261 unq 5 iso 1 dist 7.30472 7.78464 6.05727 6.43209 8.02547 5.51688 5.08716 8.43974 5.02383 5.91643 numMergedOcc 0
102 mol 261 unq 5 iso 0 dist 7.30472 11.6843 8.43057 7.78464 6.05727 4.63549 5.08716 8.43974 8.29908 5.02383 numMergedOcc 0
103 mol 261 unq 5 iso 1 dist 7.30472 7.78464 6.05727 11.6843 8.43057 4.63549 5.08716 8.43974 5.02383 8.29908 numMergedOcc 0
104 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 11.2986 8.76532 10.0156 4.90579 9.0975 5.65568 8.12478 numMergedOcc 0
105 mol 282 unq 0 iso 1 dist 7.71088 11.2986 8.76532 5.86383 8.04483 10.0156 4.90579 9.0975 8.12478 5.65568 numMergedOcc 0
106 mol 282 unq 1 iso 0 dist 7.71088 5.86383 8.04483 7.46064 6.33524 5.39891 4.90579 9.0975 5.65568 5.0324 numMergedOcc 0
107 mol 282 unq 1 iso 1 dist 7.71088 7.46064 6.33524 5.86383 8.04483 5.39891 4.90579 9.0975 5.0324 5.65568 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 7.71088 11.2986 8.76532 7.46064 6.33524 4.66602 4.90579 9.0975 8.12478 5.0324 numMergedOcc 0
109 mol 282 unq 1 iso 1 dist 7.71088 7.46064 6.33524 11.2986 8.76532 4.66602 4.90579 9.0975 5.0324 8.12478 numMergedOcc 0
