0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 11.0298 5.01101 15.1441 9.87867 6.42835 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 6.92781 12.5273 5.05803 7.03948 11.0298 15.1441 5.01101 9.87867 6.42835 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 8.43054 4.65873 9.81307 4.68733 6.57331 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 6.92781 12.5273 5.05803 7.03948 8.43054 9.81307 4.65873 4.68733 6.57331 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.176 12.1902 20.984 8.89374 20.9029 15.802 26.2291 14.6599 8.96727 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.176 20.984 12.1902 8.89374 20.9029 26.2291 15.802 14.6599 8.96727 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.176 12.1902 20.984 8.89374 16.7574 10.0319 20.6246 9.47022 8.01308 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.176 20.984 12.1902 8.89374 16.7574 20.6246 10.0319 9.47022 8.01308 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 5.90225 11.396 7.32874 6.40841 13.1897 15.561 5.61579 11.0945 8.69057 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 13.1897 5.61579 15.561 11.0945 8.69057 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 5.36766 12.8385 10.8086 8.624 7.12321 4.27726 7.47371 9.88768 9.74228 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 5.36766 10.8086 12.8385 8.624 7.12321 7.47371 4.27726 9.88768 9.74228 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 5.4148 10.2049 6.19304 4.65521 12.2276 18.7673 6.20232 6.10063 8.68662 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 12.2276 6.20232 18.7673 6.10063 8.68662 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 5.4148 10.2049 6.19304 4.65521 9.73086 17.4121 5.70116 6.15714 7.4369 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 9.73086 5.70116 17.4121 6.15714 7.4369 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.4148 10.2049 11.6369 4.65521 12.2276 18.7673 17.2422 6.10063 8.68662 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.4148 11.6369 10.2049 4.65521 12.2276 17.2422 18.7673 6.10063 8.68662 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.4148 10.2049 11.6369 4.65521 9.73086 17.4121 14.844 6.15714 7.4369 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.4148 11.6369 10.2049 4.65521 9.73086 14.844 17.4121 6.15714 7.4369 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 12.2276 6.20232 17.2422 6.10063 8.68662 numMergedOcc 0
21 mol 73 unq 2 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 5.4148 11.6369 6.19304 4.65521 12.2276 17.2422 6.20232 6.10063 8.68662 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 9.73086 5.70116 14.844 6.15714 7.4369 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 5.4148 11.6369 6.19304 4.65521 9.73086 14.844 5.70116 6.15714 7.4369 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 7.69052 13.8473 9.33865 9.66954 9.42082 15.3161 6.63111 6.49835 6.39384 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 9.42082 6.63111 15.3161 6.49835 6.39384 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 7.69052 13.8473 6.11741 9.66954 9.42082 15.3161 6.07067 6.49835 6.39384 numMergedOcc 0
27 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 9.42082 6.07067 15.3161 6.49835 6.39384 numMergedOcc 0
28 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 13.4105 4.48636 11.835 9.13361 7.69765 numMergedOcc 0
29 mol 115 unq 2 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 13.4105 11.835 4.48636 9.13361 7.69765 numMergedOcc 0
30 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 6.39384 6.63111 6.07067 6.49835 9.42082 numMergedOcc 0
31 mol 115 unq 3 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 6.39384 6.07067 6.63111 6.49835 9.42082 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 9.42082 6.63111 6.07067 6.49835 6.39384 numMergedOcc 0
33 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 9.42082 6.07067 6.63111 6.49835 6.39384 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 6.62561 11.3679 4.91401 7.22206 16.5575 7.83136 7.63616 10.4223 15.7476 3.55765 5.56883 8.19331 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 10.4223 3.55765 15.7476 5.56883 8.19331 numMergedOcc 0
36 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 6.16471 11.3474 14.9565 6.63981 11.5667 11.0381 17.5098 6.15949 7.79505 numMergedOcc 0
37 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 6.16471 14.9565 11.3474 6.63981 11.5667 17.5098 11.0381 6.15949 7.79505 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 8.80819 11.9139 8.94367 8.79571 11.988 12.847 8.06642 5.67107 7.21868 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 11.988 8.06642 12.847 5.67107 7.21868 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.00817 9.5126 6.37586 5.42582 9.55584 9.45357 6.95573 6.0991 9.33924 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 9.55584 6.95573 9.45357 6.0991 9.33924 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.00817 9.5126 6.37586 5.42582 11.988 12.847 8.06642 5.67107 7.93372 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 11.988 8.06642 12.847 5.67107 7.93372 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 13.9752 6.95573 10.2026 6.0991 9.33924 numMergedOcc 0
45 mol 134 unq 3 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 13.9752 10.2026 6.95573 6.0991 9.33924 numMergedOcc 0
46 mol 134 unq 4 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 7.21868 8.06642 4.00092 5.67107 7.93372 numMergedOcc 0
47 mol 134 unq 4 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 7.21868 4.00092 8.06642 5.67107 7.93372 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 7.93372 8.06642 4.00092 5.67107 7.21868 numMergedOcc 0
49 mol 134 unq 5 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 7.93372 4.00092 8.06642 5.67107 7.21868 numMergedOcc 0
50 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 5.32922 5.31024 7.26382 9.07935 7.81207 4.67662 5.81599 5.26247 6.14151 numMergedOcc 0
51 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 5.32922 7.26382 5.31024 9.07935 7.81207 5.81599 4.67662 5.26247 6.14151 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 5.32922 5.31024 11.0824 9.07935 7.81207 4.67662 11.1 5.26247 6.14151 numMergedOcc 0
53 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 5.32922 11.0824 5.31024 9.07935 7.81207 11.1 4.67662 5.26247 6.14151 numMergedOcc 0
54 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 6.14151 4.67662 5.81599 5.26247 7.81207 numMergedOcc 0
55 mol 142 unq 2 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 6.14151 5.81599 4.67662 5.26247 7.81207 numMergedOcc 0
56 mol 142 unq 3 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 10.7696 13.5913 9.99555 12.2806 7.18002 numMergedOcc 0
57 mol 142 unq 3 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 10.7696 9.99555 13.5913 12.2806 7.18002 numMergedOcc 0
58 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 5.32922 7.26382 11.0824 9.07935 7.81207 5.81599 11.1 5.26247 6.14151 numMergedOcc 0
59 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 5.32922 11.0824 7.26382 9.07935 7.81207 11.1 5.81599 5.26247 6.14151 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 5.23634 5.0317 5.83175 4.09934 6.91318 numMergedOcc 0
61 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 5.22356 10.8157 8.65997 6.95902 5.23634 5.83175 5.0317 4.09934 6.91318 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 5.88703 12.9605 9.45496 7.85175 11.6391 14.898 12.4252 10.5304 7.81215 numMergedOcc 0
63 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 11.6391 12.4252 14.898 10.5304 7.81215 numMergedOcc 0
64 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 5.88703 12.9605 6.7625 7.85175 11.6391 14.898 5.75498 10.5304 7.81215 numMergedOcc 0
65 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 11.6391 5.75498 14.898 10.5304 7.81215 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 11.6391 12.4252 5.75498 10.5304 7.81215 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 11.6391 5.75498 12.4252 10.5304 7.81215 numMergedOcc 0
68 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 10.1317 4.27181 4.89609 13.0765 9.3206 numMergedOcc 0
69 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 10.1317 4.89609 4.27181 13.0765 9.3206 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 10.1317 4.27181 10.5774 13.0765 9.3206 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 10.1317 10.5774 4.27181 13.0765 9.3206 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 10.1317 4.27181 11.0923 13.0765 9.3206 numMergedOcc 0
73 mol 236 unq 2 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 7.28249 13.499 9.81562 5.34718 10.1317 11.0923 4.27181 13.0765 9.3206 numMergedOcc 0
74 mol 236 unq 3 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 10.1317 4.27181 16.9105 13.0765 9.3206 numMergedOcc 0
75 mol 236 unq 3 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.28249 11.2141 9.81562 5.34718 10.1317 16.9105 4.27181 13.0765 9.3206 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 10.1317 4.89609 10.5774 13.0765 9.3206 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 10.1317 10.5774 4.89609 13.0765 9.3206 numMergedOcc 0
78 mol 236 unq 2 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 10.1317 4.89609 11.0923 13.0765 9.3206 numMergedOcc 0
79 mol 236 unq 2 iso 1 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 7.28249 13.499 7.68742 5.34718 10.1317 11.0923 4.89609 13.0765 9.3206 numMergedOcc 0
80 mol 236 unq 3 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 10.1317 4.89609 16.9105 13.0765 9.3206 numMergedOcc 0
81 mol 236 unq 3 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.28249 11.2141 7.68742 5.34718 10.1317 16.9105 4.89609 13.0765 9.3206 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 10.1317 10.5774 11.0923 13.0765 9.3206 numMergedOcc 0
83 mol 236 unq 2 iso 1 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 7.28249 13.499 6.27581 5.34718 10.1317 11.0923 10.5774 13.0765 9.3206 numMergedOcc 0
84 mol 236 unq 3 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 10.1317 10.5774 16.9105 13.0765 9.3206 numMergedOcc 0
85 mol 236 unq 3 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.28249 11.2141 6.27581 5.34718 10.1317 16.9105 10.5774 13.0765 9.3206 numMergedOcc 0
86 mol 236 unq 3 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 10.1317 11.0923 16.9105 13.0765 9.3206 numMergedOcc 0
87 mol 236 unq 3 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 10.1317 16.9105 11.0923 13.0765 9.3206 numMergedOcc 0
