0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.87885 12.8323 7.92429 13.2247 12.2333 9.36807 6.1206 10.5461 12.2041 10.515 7.12508 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 6.1206 7.12508 7.92429 13.2247 10.5461 6.36911 9.87885 12.2333 12.2041 6.06176 12.8323 8.41585 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 7.67927 11.143 11.2233 13.2247 10.5461 6.36911 14.1836 12.2333 12.2041 6.06176 16.5681 8.41585 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 6.92781 6.31718 5.47769 11.0298 12.5273 10.8455 5.94084 15.1441 7.63133 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 10.7015 10.9143 6.58035 15.3667 12.5273 10.8455 5.94084 15.1441 5.46498 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 6.92781 6.31718 5.47769 8.43054 12.5273 10.8455 5.94084 9.81307 7.63133 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 10.7015 10.9143 6.58035 11.1513 12.5273 10.8455 5.94084 9.81307 5.46498 numMergedOcc 0
7 mol 16 unq 4 iso 0 dist 6.31718 5.47769 6.2983 8.43054 4.65873 4.68733 5.32694 10.9143 6.58035 11.1513 7.63133 10.8455 5.94084 9.81307 5.46498 numMergedOcc 0
8 mol 16 unq 5 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 6.92781 12.5273 7.03948 6.57331 6.31718 10.8455 6.2983 4.65873 5.05803 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.24762 11.2563 7.06308 11.5679 7.2846 8.81358 4.71384 6.42339 6.43774 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 11.0466 13.4544 7.58407 18.0198 11.396 10.6169 5.11205 15.561 6.64012 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.90225 9.55426 6.31428 13.1897 11.396 10.6169 5.11205 15.561 9.4099 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 8.62958 10.3224 6.46761 14.4498 12.1902 9.94737 5.24906 15.802 6.64012 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 14.176 15.4557 9.73139 20.9029 12.1902 9.94737 5.24906 15.802 9.4099 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 14.176 15.4557 9.73139 20.9029 20.984 19.4068 13.1021 26.2291 9.55426 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 8.62958 10.3224 6.46761 10.6166 12.1902 9.94737 5.24906 10.0319 6.64012 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 14.176 15.4557 9.73139 16.7574 12.1902 9.94737 5.24906 10.0319 9.4099 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 14.176 15.4557 9.73139 16.7574 20.984 19.4068 13.1021 20.6246 9.55426 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 7.4697 8.9232 5.64598 10.9476 13.1662 11.8291 9.77992 15.6317 5.93252 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 5.4148 10.2049 4.65521 7.4369 9.96396 15.7123 7.41074 5.70116 6.19304 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 7.4697 11.4799 5.64598 10.9476 13.1662 16.5689 9.77992 15.6317 5.93252 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.4148 9.96396 8.70133 12.2276 10.2049 15.7123 13.4082 18.7673 9.38498 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.4148 9.96396 8.70133 12.2276 11.6369 12.016 15.9882 17.2422 9.75218 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.7113 11.4799 5.64598 11.6739 11.379 16.5689 9.77992 15.5347 5.93252 numMergedOcc 0
24 mol 73 unq 6 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.4148 9.96396 8.70133 9.73086 10.2049 15.7123 13.4082 17.4121 9.38498 numMergedOcc 0
25 mol 73 unq 7 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.4148 9.96396 8.70133 9.73086 11.6369 12.016 15.9882 14.844 9.75218 numMergedOcc 0
26 mol 73 unq 8 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.7113 11.4799 5.64598 10.9476 11.379 16.5689 9.77992 15.6317 5.93252 numMergedOcc 0
27 mol 73 unq 9 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 7.4697 16.0453 5.64598 10.9476 13.1662 21.7714 9.77992 15.6317 5.93252 numMergedOcc 0
28 mol 73 unq 10 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 5.4148 11.6369 4.65521 7.4369 9.96396 12.016 7.41074 5.70116 6.19304 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 7.69765 10.3209 9.13361 7.69052 13.8473 9.66954 13.4105 5.83991 10.8507 6.09023 4.48636 9.33865 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.30858 8.66155 11.3902 7.69765 10.3209 9.13361 7.69052 13.8473 9.66954 13.4105 7.88312 11.5723 4.61908 11.835 6.11741 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 7.30858 8.66155 11.3902 9.42082 15.3161 6.49835 7.69052 13.8473 9.66954 6.39384 5.83991 10.8507 6.09023 6.63111 9.33865 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 7.30858 8.66155 11.3902 9.42082 15.3161 6.49835 7.69052 13.8473 9.66954 6.39384 7.88312 11.5723 4.61908 6.07067 6.11741 numMergedOcc 0
33 mol 115 unq 4 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 7.69052 5.83991 8.66155 9.42082 13.8473 10.8507 11.3902 15.3161 7.30858 numMergedOcc 0
34 mol 115 unq 5 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 7.69052 5.83991 8.66155 9.42082 6.11741 8.02349 4.61908 6.07067 7.88312 numMergedOcc 0
35 mol 115 unq 6 iso 0 dist 5.83991 8.66155 6.09023 7.69765 4.48636 9.13361 7.69052 9.33865 9.66954 13.4105 7.88312 8.02349 4.61908 11.835 6.11741 numMergedOcc 0
36 mol 115 unq 7 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 7.69052 9.33865 9.66954 6.39384 7.88312 8.02349 4.61908 6.07067 6.11741 numMergedOcc 0
37 mol 115 unq 8 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 7.69052 7.88312 8.66155 9.42082 13.8473 11.5723 11.3902 15.3161 7.30858 numMergedOcc 0
38 mol 115 unq 9 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 7.69052 7.88312 8.66155 9.42082 9.33865 8.02349 6.09023 6.63111 5.83991 numMergedOcc 0
39 mol 115 unq 10 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 7.69052 6.11741 9.66954 13.4105 5.83991 8.02349 6.09023 4.48636 9.33865 numMergedOcc 0
40 mol 115 unq 11 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 7.69052 6.11741 9.66954 6.39384 5.83991 8.02349 6.09023 6.63111 9.33865 numMergedOcc 0
41 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 6.10127 6.57678 6.95589 7.22206 16.5575 7.63616 11.6387 7.90328 13.1058 4.91401 10.5783 7.83136 numMergedOcc 0
42 mol 117 unq 1 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 7.22206 7.90328 6.62561 10.4223 16.5575 13.1058 11.3679 15.7476 9.84395 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 5.49782 6.37586 5.42582 7.93372 9.86662 6.81259 6.17103 4.00092 9.71307 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 8.80819 6.49416 8.6355 11.988 11.9139 5.00526 10.1448 12.847 6.54501 numMergedOcc 0
45 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.49782 8.94367 8.79571 13.9752 9.71307 6.81259 6.17103 10.2026 9.86662 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 6.37586 5.42582 5.41704 9.33924 6.95573 6.0991 5.00817 6.49416 8.6355 9.55584 9.5126 5.00526 10.1448 9.45357 6.54501 numMergedOcc 0
47 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.49782 8.94367 8.79571 7.21868 9.71307 6.81259 6.17103 4.00092 9.86662 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.00817 6.49416 8.6355 11.988 9.5126 5.00526 10.1448 12.847 6.54501 numMergedOcc 0
49 mol 134 unq 6 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 5.49782 9.71307 5.42582 7.93372 8.94367 6.81259 5.41704 8.06642 6.37586 numMergedOcc 0
50 mol 134 unq 7 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 8.80819 12.5075 8.6355 11.988 11.9139 11.3271 10.1448 12.847 6.54501 numMergedOcc 0
51 mol 134 unq 8 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 8.80819 12.5075 8.6355 11.988 8.94367 6.81259 5.41704 8.06642 6.49416 numMergedOcc 0
52 mol 134 unq 9 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.49782 9.86662 8.79571 13.9752 6.37586 6.81259 5.41704 6.95573 8.94367 numMergedOcc 0
53 mol 134 unq 10 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.00817 12.5075 8.6355 9.55584 9.5126 11.3271 10.1448 9.45357 6.54501 numMergedOcc 0
54 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 5.00817 12.5075 8.6355 9.55584 6.37586 6.81259 5.41704 6.95573 6.49416 numMergedOcc 0
55 mol 134 unq 12 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.49782 9.86662 8.79571 7.21868 6.37586 6.81259 5.41704 8.06642 8.94367 numMergedOcc 0
56 mol 134 unq 13 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.00817 12.5075 8.6355 11.988 9.5126 11.3271 10.1448 12.847 6.54501 numMergedOcc 0
57 mol 134 unq 14 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.00817 12.5075 8.6355 11.988 6.37586 6.81259 5.41704 8.06642 6.49416 numMergedOcc 0
58 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 7.81207 4.67662 5.26247 5.32922 5.31024 9.07935 6.14151 7.73169 5.50998 7.53854 5.81599 7.26382 numMergedOcc 0
59 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 5.32922 5.31024 9.07935 10.7696 7.73169 5.50998 7.53854 9.99555 7.26382 numMergedOcc 0
60 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 5.32922 9.2313 7.15475 7.81207 7.26382 5.50998 7.53854 5.81599 7.73169 numMergedOcc 0
61 mol 142 unq 3 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 5.32922 9.2313 7.15475 7.81207 11.0824 11.1395 10.3477 11.1 8.96657 numMergedOcc 0
62 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.81207 5.81599 5.26247 5.32922 7.26382 9.07935 6.14151 9.2313 5.50998 9.49653 4.67662 5.31024 numMergedOcc 0
63 mol 142 unq 5 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 5.32922 7.26382 9.07935 10.7696 9.2313 5.50998 9.49653 13.5913 5.31024 numMergedOcc 0
64 mol 142 unq 6 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 5.32922 7.73169 7.15475 7.81207 5.31024 5.50998 9.49653 4.67662 9.2313 numMergedOcc 0
65 mol 142 unq 7 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 5.32922 7.73169 7.15475 7.81207 11.0824 5.92693 10.3477 11.1 8.96657 numMergedOcc 0
66 mol 142 unq 8 iso 0 dist 8.96657 7.15475 10.3477 7.81207 11.1 5.26247 5.32922 11.0824 9.07935 6.14151 9.2313 11.1395 9.49653 4.67662 5.31024 numMergedOcc 0
67 mol 142 unq 9 iso 0 dist 8.96657 7.15475 10.3477 7.81207 11.1 5.26247 5.32922 11.0824 9.07935 6.14151 7.73169 5.92693 7.53854 5.81599 7.26382 numMergedOcc 0
68 mol 142 unq 10 iso 0 dist 8.96657 7.15475 10.3477 7.18002 6.52253 12.2806 5.32922 11.0824 9.07935 10.7696 9.2313 11.1395 9.49653 13.5913 5.31024 numMergedOcc 0
69 mol 142 unq 11 iso 0 dist 8.96657 7.15475 10.3477 7.18002 6.52253 12.2806 5.32922 11.0824 9.07935 10.7696 7.73169 5.92693 7.53854 9.99555 7.26382 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 5.71071 10.2463 7.16254 12.9034 7.46303 7.66392 6.3845 9.16779 6.23493 numMergedOcc 0
71 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 5.71071 10.2463 9.86313 12.9034 7.46303 7.66392 5.86939 9.16779 6.23493 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 4.70378 9.99123 6.67585 13.2325 6.57273 5.0744 5.29877 7.05804 8.95269 numMergedOcc 0
73 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 5.22356 7.22101 8.17891 5.23634 10.8157 4.39704 9.13836 5.83175 7.09863 numMergedOcc 0
74 mol 227 unq 1 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 5.22356 10.8157 6.95902 6.91318 7.22101 4.39704 6.43754 5.0317 8.65997 numMergedOcc 0
75 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.88703 6.56247 6.25105 11.6391 12.9605 6.29886 10.3337 14.898 8.34494 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.88703 6.56247 6.25105 11.6391 6.7625 7.82322 11.4315 5.75498 9.36357 numMergedOcc 0
77 mol 234 unq 2 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.88703 9.36357 6.25105 11.6391 12.9605 12.1694 10.3337 14.898 8.34494 numMergedOcc 0
78 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.88703 9.36357 6.25105 11.6391 9.45496 7.82322 11.216 12.4252 6.56247 numMergedOcc 0
79 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 7.68742 5.79505 11.3552 4.89609 6.84306 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 6.27581 9.90963 6.04825 10.5774 9.99038 numMergedOcc 0
81 mol 236 unq 2 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 13.499 6.96005 12.6468 11.0923 9.78037 numMergedOcc 0
82 mol 236 unq 3 iso 0 dist 9.81562 5.34718 11.8759 9.3206 4.27181 13.0765 7.28249 8.03456 7.17676 10.1317 11.2141 14.2337 6.40312 16.9105 8.35971 numMergedOcc 0
83 mol 236 unq 4 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 9.81562 5.79505 11.8759 4.27181 8.03456 numMergedOcc 0
84 mol 236 unq 5 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 6.27581 11.3368 6.04825 10.5774 9.99038 numMergedOcc 0
85 mol 236 unq 6 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 13.499 11.8739 12.6468 11.0923 9.78037 numMergedOcc 0
86 mol 236 unq 7 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 7.28249 6.84306 7.17676 10.1317 11.2141 14.7998 6.40312 16.9105 8.35971 numMergedOcc 0
87 mol 236 unq 8 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 9.81562 9.90963 11.8759 4.27181 8.03456 numMergedOcc 0
88 mol 236 unq 9 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 7.68742 11.3368 11.3552 4.89609 6.84306 numMergedOcc 0
89 mol 236 unq 10 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 13.499 11.1557 12.6468 11.0923 9.78037 numMergedOcc 0
90 mol 236 unq 11 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 7.28249 9.99038 7.17676 10.1317 11.2141 10.7497 6.40312 16.9105 8.35971 numMergedOcc 0
91 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 5.42006 10.0756 5.38637 13.9551 11.101 14.0328 6.20606 20.1157 6.57393 numMergedOcc 0
92 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 12.5353 15.9169 8.37865 17.0253 12.0576 15.8535 5.31048 14.6375 5.30224 numMergedOcc 0
93 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 12.5353 15.9169 8.37865 20.1127 12.0576 15.8535 5.31048 19.2084 5.30224 numMergedOcc 0
94 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 12.5353 18.2309 8.37865 17.0253 12.0576 16.9228 5.31048 14.6375 5.30224 numMergedOcc 0
95 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 12.5353 18.2309 8.37865 20.1127 12.0576 16.9228 5.31048 19.2084 5.30224 numMergedOcc 0
96 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 12.5353 11.858 8.37865 17.0253 12.0576 9.98105 5.31048 14.6375 5.30224 numMergedOcc 0
97 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 12.5353 11.858 8.37865 20.1127 12.0576 9.98105 5.31048 19.2084 5.30224 numMergedOcc 0
98 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 12.5353 20.3294 8.37865 17.0253 12.0576 17.9439 5.31048 14.6375 5.30224 numMergedOcc 0
99 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 12.5353 20.3294 8.37865 20.1127 12.0576 17.9439 5.31048 19.2084 5.30224 numMergedOcc 0
