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 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
2 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 5.06502 5.73819 10.5523 13.5377 10.0168 5.07458 10.8828 14.3756 6.66407 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 15.6595 8.55984 18.0072 18.1063 9.08221 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 15.6595 8.55984 14.0406 18.1063 9.08221 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 13.1897 5.61579 15.561 16.9237 5.38524 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 13.1897 5.61579 15.561 16.9237 8.69057 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 13.1897 5.61579 15.561 11.0945 5.38524 numMergedOcc 0
8 mol 58 unq 5 iso 0 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
9 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 7.12321 7.47371 4.27726 9.88768 6.21799 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 9.35457 9.67587 5.93202 12.9007 5.03251 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 12.1131 7.07356 8.7566 12.9235 7.66093 numMergedOcc 0
12 mol 73 unq 0 iso 0 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
13 mol 73 unq 1 iso 0 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
14 mol 73 unq 2 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 13.3207 11.2069 19.0013 17.2861 5.5087 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 14.498 10.6713 21.9204 16.8311 6.08682 numMergedOcc 0
16 mol 73 unq 4 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
17 mol 73 unq 5 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
18 mol 73 unq 6 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 13.3207 11.2069 6.19168 17.2861 5.5087 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 14.498 10.6713 10.532 16.8311 6.08682 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 9.76432 6.23008 5.16579 6.13211 8.91882 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 9.76432 6.23008 14.4607 6.13211 8.91882 numMergedOcc 0
22 mol 115 unq 0 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
23 mol 115 unq 1 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
24 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 13.4105 4.48636 11.835 14.211 7.69765 numMergedOcc 0
25 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 6.39384 6.63111 6.07067 5.65471 9.42082 numMergedOcc 0
26 mol 115 unq 4 iso 0 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
27 mol 115 unq 5 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
28 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 10.5599 5.03039 11.1447 15.1254 6.04595 numMergedOcc 0
29 mol 115 unq 7 iso 0 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 8 iso 0 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
31 mol 115 unq 9 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 13.4105 11.835 4.48636 14.211 7.69765 numMergedOcc 0
32 mol 115 unq 10 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 6.39384 6.07067 6.63111 5.65471 9.42082 numMergedOcc 0
33 mol 115 unq 11 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 10.0255 6.95773 6.01673 15.7303 6.24825 numMergedOcc 0
34 mol 115 unq 12 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 10.0255 6.95773 6.01673 6.70178 6.24825 numMergedOcc 0
35 mol 115 unq 13 iso 0 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
36 mol 115 unq 14 iso 0 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
37 mol 115 unq 15 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 11.8378 5.03039 11.1447 13.2709 6.04595 numMergedOcc 0
38 mol 115 unq 16 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 10.0255 6.01673 6.95773 15.7303 6.24825 numMergedOcc 0
39 mol 115 unq 17 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 11.8378 5.03039 11.1447 5.53947 6.04595 numMergedOcc 0
40 mol 115 unq 18 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 10.0255 6.01673 6.95773 6.70178 6.24825 numMergedOcc 0
41 mol 117 unq 0 iso 0 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
42 mol 117 unq 1 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 9.3584 7.0603 17.163 10.6107 10.4223 3.55765 15.7476 5.56883 8.85711 numMergedOcc 0
43 mol 134 unq 0 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
44 mol 134 unq 1 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
45 mol 134 unq 2 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
46 mol 134 unq 3 iso 0 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
47 mol 134 unq 4 iso 0 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
48 mol 134 unq 5 iso 0 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
49 mol 134 unq 6 iso 0 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
50 mol 134 unq 7 iso 0 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
51 mol 134 unq 8 iso 0 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
52 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
53 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
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 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
56 mol 142 unq 4 iso 0 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
57 mol 142 unq 5 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
58 mol 142 unq 6 iso 0 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
59 mol 142 unq 7 iso 0 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
60 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 13.2783 12.9532 12.7791 9.37649 9.76212 numMergedOcc 0
61 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 13.2783 12.9532 12.7791 9.04392 9.76212 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 8.79428 7.05804 5.76843 10.9705 6.8692 numMergedOcc 0
63 mol 224 unq 1 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 8.79428 5.76843 7.05804 10.9705 6.99769 numMergedOcc 0
64 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 8.79428 5.76843 7.05804 10.9705 6.8692 numMergedOcc 0
65 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
66 mol 234 unq 0 iso 0 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
67 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
68 mol 234 unq 2 iso 0 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
69 mol 234 unq 3 iso 0 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
70 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
71 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.28249 9.81562 7.68742 10.5713 10.1317 4.27181 4.89609 12.5813 9.3206 numMergedOcc 0
72 mol 236 unq 2 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
73 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.28249 9.81562 6.27581 10.5713 10.1317 4.27181 10.5774 12.5813 9.3206 numMergedOcc 0
74 mol 236 unq 4 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
75 mol 236 unq 5 iso 0 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.28249 9.81562 13.499 10.5713 10.1317 4.27181 11.0923 12.5813 9.3206 numMergedOcc 0
76 mol 236 unq 6 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
77 mol 236 unq 7 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 10.1317 4.27181 16.9105 12.5813 9.3206 numMergedOcc 0
78 mol 236 unq 8 iso 0 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
79 mol 236 unq 9 iso 0 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.28249 7.68742 9.81562 10.5713 10.1317 4.89609 4.27181 12.5813 9.3206 numMergedOcc 0
80 mol 236 unq 10 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
81 mol 236 unq 11 iso 0 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.28249 7.68742 6.27581 10.5713 10.1317 4.89609 10.5774 12.5813 9.3206 numMergedOcc 0
82 mol 236 unq 12 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
83 mol 236 unq 13 iso 0 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.28249 7.68742 13.499 10.5713 10.1317 4.89609 11.0923 12.5813 9.3206 numMergedOcc 0
84 mol 236 unq 14 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
85 mol 236 unq 15 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 10.1317 4.89609 16.9105 12.5813 9.3206 numMergedOcc 0
86 mol 236 unq 16 iso 0 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
87 mol 236 unq 17 iso 0 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.28249 6.27581 9.81562 10.5713 10.1317 10.5774 4.27181 12.5813 9.3206 numMergedOcc 0
88 mol 236 unq 18 iso 0 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
89 mol 236 unq 19 iso 0 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.28249 6.27581 7.68742 10.5713 10.1317 10.5774 4.89609 12.5813 9.3206 numMergedOcc 0
90 mol 236 unq 20 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
91 mol 236 unq 21 iso 0 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.28249 6.27581 13.499 10.5713 10.1317 10.5774 11.0923 12.5813 9.3206 numMergedOcc 0
92 mol 236 unq 22 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
93 mol 236 unq 23 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 10.1317 10.5774 16.9105 12.5813 9.3206 numMergedOcc 0
94 mol 236 unq 24 iso 0 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.43758 8.04248 15.1853 10.6445 11.5798 4.66414 17.777 10.9455 8.23087 numMergedOcc 0
95 mol 236 unq 25 iso 0 dist 8.35971 8.03456 14.2337 6.68463 6.2568 9.07822 7.43758 8.04248 15.1853 10.5433 11.5798 4.66414 17.777 9.3486 8.23087 numMergedOcc 0
96 mol 236 unq 26 iso 0 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.43758 8.04248 13.5269 10.6445 11.5798 4.66414 18.3836 10.9455 8.23087 numMergedOcc 0
97 mol 236 unq 27 iso 0 dist 8.35971 6.84306 14.7998 6.68463 6.2568 11.6837 7.43758 8.04248 13.5269 10.5433 11.5798 4.66414 18.3836 9.3486 8.23087 numMergedOcc 0
98 mol 236 unq 28 iso 0 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.43758 8.04248 15.7308 10.6445 11.5798 4.66414 15.3396 10.9455 8.23087 numMergedOcc 0
99 mol 236 unq 29 iso 0 dist 8.35971 9.99038 10.7497 6.68463 6.2568 8.8265 7.43758 8.04248 15.7308 10.5433 11.5798 4.66414 15.3396 9.3486 8.23087 numMergedOcc 0
100 mol 236 unq 30 iso 0 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.43758 8.04248 14.9122 10.6445 11.5798 4.66414 14.5556 10.9455 8.23087 numMergedOcc 0
101 mol 236 unq 31 iso 0 dist 8.35971 9.78037 12.0369 6.68463 6.2568 5.80136 7.43758 8.04248 14.9122 10.5433 11.5798 4.66414 14.5556 9.3486 8.23087 numMergedOcc 0
102 mol 252 unq 0 iso 0 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 14.9102 7.19638 10.5136 14.7097 13.1298 7.40852 5.6214 9.43777 7.15764 numMergedOcc 0
103 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 7.66153 8.8603 5.8801 14.0829 9.07743 numMergedOcc 0
104 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 7.66153 8.8603 11.8896 14.0829 9.07743 numMergedOcc 0
105 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 7.66153 8.8603 5.81576 14.0829 9.07743 numMergedOcc 0
