0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 8.43054 4.65873 9.81307 4.68733 6.92781 5.05803 12.5273 7.03948 6.57331 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 8.43054 9.81307 4.65873 4.68733 6.92781 12.5273 5.05803 7.03948 6.57331 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 8.43054 4.65873 9.81307 4.68733 5.32694 10.9143 5.46498 6.58035 11.1513 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 8.43054 9.81307 4.65873 4.68733 5.32694 5.46498 10.9143 6.58035 11.1513 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.33906 6.42339 5.1274 6.00679 5.24762 6.43774 11.2563 7.06308 11.5679 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.33906 5.1274 6.42339 6.00679 5.24762 11.2563 6.43774 7.06308 11.5679 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.33906 6.42339 5.1274 6.00679 5.101 10.8302 11.5838 9.43442 13.9885 numMergedOcc 0
7 mol 45 unq 1 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.33906 5.1274 6.42339 6.00679 5.101 11.5838 10.8302 9.43442 13.9885 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 7.12321 4.27726 7.47371 9.88768 5.36766 12.8385 10.8086 8.624 9.74228 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 7.12321 7.47371 4.27726 9.88768 5.36766 10.8086 12.8385 8.624 9.74228 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 9.73086 17.4121 5.70116 6.15714 7.4697 8.9232 11.4799 5.64598 10.9476 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 9.73086 5.70116 17.4121 6.15714 7.4697 11.4799 8.9232 5.64598 10.9476 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 9.73086 17.4121 5.70116 6.15714 5.4148 10.2049 6.19304 4.65521 7.4369 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 9.73086 5.70116 17.4121 6.15714 5.4148 6.19304 10.2049 4.65521 7.4369 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 9.73086 17.4121 14.844 6.15714 7.4697 8.9232 16.0453 5.64598 10.9476 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 9.73086 14.844 17.4121 6.15714 7.4697 16.0453 8.9232 5.64598 10.9476 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 9.73086 17.4121 14.844 6.15714 5.4148 10.2049 11.6369 4.65521 7.4369 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 9.73086 14.844 17.4121 6.15714 5.4148 11.6369 10.2049 4.65521 7.4369 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 9.73086 5.70116 14.844 6.15714 7.4697 11.4799 16.0453 5.64598 10.9476 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 9.73086 14.844 5.70116 6.15714 7.4697 16.0453 11.4799 5.64598 10.9476 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 9.73086 5.70116 14.844 6.15714 5.4148 6.19304 11.6369 4.65521 7.4369 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 9.73086 14.844 5.70116 6.15714 5.4148 11.6369 6.19304 4.65521 7.4369 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 7.69765 10.3209 4.48636 9.13361 7.69052 13.8473 9.33865 9.66954 13.4105 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69765 4.48636 10.3209 9.13361 7.69052 9.33865 13.8473 9.66954 13.4105 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 9.42082 15.3161 6.63111 6.49835 7.69052 13.8473 9.33865 9.66954 6.39384 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 9.42082 6.63111 15.3161 6.49835 7.69052 9.33865 13.8473 9.66954 6.39384 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 7.69765 10.3209 11.835 9.13361 7.69052 13.8473 6.11741 9.66954 13.4105 numMergedOcc 0
27 mol 115 unq 2 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69765 11.835 10.3209 9.13361 7.69052 6.11741 13.8473 9.66954 13.4105 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 9.42082 15.3161 6.07067 6.49835 7.69052 13.8473 6.11741 9.66954 6.39384 numMergedOcc 0
29 mol 115 unq 3 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 9.42082 6.07067 15.3161 6.49835 7.69052 6.11741 13.8473 9.66954 6.39384 numMergedOcc 0
30 mol 115 unq 4 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 6.39384 6.63111 6.07067 6.49835 7.69052 5.83991 7.88312 8.66155 9.42082 numMergedOcc 0
31 mol 115 unq 4 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 6.39384 6.07067 6.63111 6.49835 7.69052 7.88312 5.83991 8.66155 9.42082 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69765 4.48636 11.835 9.13361 7.69052 9.33865 6.11741 9.66954 13.4105 numMergedOcc 0
33 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69765 11.835 4.48636 9.13361 7.69052 6.11741 9.33865 9.66954 13.4105 numMergedOcc 0
34 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 9.42082 6.63111 6.07067 6.49835 7.69052 9.33865 6.11741 9.66954 6.39384 numMergedOcc 0
35 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 9.42082 6.07067 6.63111 6.49835 7.69052 6.11741 9.33865 9.66954 6.39384 numMergedOcc 0
36 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 6.62561 11.3679 4.91401 6.10127 6.57678 10.5783 6.95589 7.22206 16.5575 7.83136 7.63616 11.6387 numMergedOcc 0
37 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 6.10127 10.5783 6.57678 6.95589 7.22206 7.83136 16.5575 7.63616 11.6387 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 7.21868 8.06642 4.00092 5.67107 5.49782 6.37586 9.71307 5.42582 7.93372 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 7.21868 4.00092 8.06642 5.67107 5.49782 9.71307 6.37586 5.42582 7.93372 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 7.21868 8.06642 4.00092 5.67107 8.80819 6.49416 12.5075 8.6355 11.988 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 7.21868 4.00092 8.06642 5.67107 8.80819 12.5075 6.49416 8.6355 11.988 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 9.33924 6.95573 10.2026 6.0991 5.49782 8.94367 9.86662 8.79571 13.9752 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 9.33924 10.2026 6.95573 6.0991 5.49782 9.86662 8.94367 8.79571 13.9752 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 9.33924 6.95573 10.2026 6.0991 5.00817 6.49416 12.5075 8.6355 9.55584 numMergedOcc 0
45 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 9.33924 10.2026 6.95573 6.0991 5.00817 12.5075 6.49416 8.6355 9.55584 numMergedOcc 0
46 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 7.93372 8.06642 4.00092 5.67107 5.49782 8.94367 9.86662 8.79571 7.21868 numMergedOcc 0
47 mol 134 unq 4 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 7.93372 4.00092 8.06642 5.67107 5.49782 9.86662 8.94367 8.79571 7.21868 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 7.93372 8.06642 4.00092 5.67107 5.00817 6.49416 12.5075 8.6355 11.988 numMergedOcc 0
49 mol 134 unq 5 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 7.93372 4.00092 8.06642 5.67107 5.00817 12.5075 6.49416 8.6355 11.988 numMergedOcc 0
50 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 7.81207 4.67662 5.81599 5.26247 5.32922 5.31024 7.26382 9.07935 6.14151 numMergedOcc 0
51 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 7.81207 5.81599 4.67662 5.26247 5.32922 7.26382 5.31024 9.07935 6.14151 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 7.18002 13.5913 9.99555 12.2806 5.32922 5.31024 7.26382 9.07935 10.7696 numMergedOcc 0
53 mol 142 unq 1 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 7.18002 9.99555 13.5913 12.2806 5.32922 7.26382 5.31024 9.07935 10.7696 numMergedOcc 0
54 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 7.81207 4.67662 11.1 5.26247 5.32922 5.31024 11.0824 9.07935 6.14151 numMergedOcc 0
55 mol 142 unq 2 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 7.81207 11.1 4.67662 5.26247 5.32922 11.0824 5.31024 9.07935 6.14151 numMergedOcc 0
56 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 7.18002 13.5913 6.52253 12.2806 5.32922 5.31024 11.0824 9.07935 10.7696 numMergedOcc 0
57 mol 142 unq 3 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 7.18002 6.52253 13.5913 12.2806 5.32922 11.0824 5.31024 9.07935 10.7696 numMergedOcc 0
58 mol 142 unq 4 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 6.14151 4.67662 5.81599 5.26247 5.32922 9.2313 7.73169 7.15475 7.81207 numMergedOcc 0
59 mol 142 unq 4 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 6.14151 5.81599 4.67662 5.26247 5.32922 7.73169 9.2313 7.15475 7.81207 numMergedOcc 0
60 mol 142 unq 2 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 7.81207 5.81599 11.1 5.26247 5.32922 7.26382 11.0824 9.07935 6.14151 numMergedOcc 0
61 mol 142 unq 2 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 7.81207 11.1 5.81599 5.26247 5.32922 11.0824 7.26382 9.07935 6.14151 numMergedOcc 0
62 mol 142 unq 3 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 7.18002 9.99555 6.52253 12.2806 5.32922 7.26382 11.0824 9.07935 10.7696 numMergedOcc 0
63 mol 142 unq 3 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 7.18002 6.52253 9.99555 12.2806 5.32922 11.0824 7.26382 9.07935 10.7696 numMergedOcc 0
64 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 8.97626 9.16779 4.91785 12.0485 5.71071 6.23493 10.2463 7.16254 12.9034 numMergedOcc 0
65 mol 155 unq 0 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 8.97626 4.91785 9.16779 12.0485 5.71071 10.2463 6.23493 7.16254 12.9034 numMergedOcc 0
66 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 8.97626 9.16779 4.91785 4.48516 5.71071 6.23493 10.2463 9.86313 12.9034 numMergedOcc 0
67 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.97626 4.91785 9.16779 4.48516 5.71071 10.2463 6.23493 9.86313 12.9034 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.79428 7.05804 5.76843 10.9705 4.70378 8.95269 9.99123 6.67585 13.2325 numMergedOcc 0
69 mol 224 unq 0 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.79428 5.76843 7.05804 10.9705 4.70378 9.99123 8.95269 6.67585 13.2325 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.23634 5.0317 5.83175 4.09934 5.22356 8.65997 10.8157 6.95902 6.91318 numMergedOcc 0
71 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 5.23634 5.83175 5.0317 4.09934 5.22356 10.8157 8.65997 6.95902 6.91318 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 7.81215 12.4252 5.75498 10.5304 5.88703 6.56247 9.36357 6.25105 11.6391 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 7.81215 5.75498 12.4252 10.5304 5.88703 9.36357 6.56247 6.25105 11.6391 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 9.3206 4.27181 4.89609 13.0765 7.28249 8.03456 6.84306 7.17676 10.1317 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 9.3206 4.89609 4.27181 13.0765 7.28249 6.84306 8.03456 7.17676 10.1317 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 9.3206 4.27181 10.5774 13.0765 7.28249 8.03456 9.99038 7.17676 10.1317 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 9.3206 10.5774 4.27181 13.0765 7.28249 9.99038 8.03456 7.17676 10.1317 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 9.3206 4.89609 10.5774 13.0765 7.28249 6.84306 9.99038 7.17676 10.1317 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 9.3206 10.5774 4.89609 13.0765 7.28249 9.99038 6.84306 7.17676 10.1317 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 9.63573 7.20604 5.05362 9.98303 12.5353 15.9169 18.2309 8.37865 17.0253 numMergedOcc 0
81 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 9.63573 5.05362 7.20604 9.98303 12.5353 18.2309 15.9169 8.37865 17.0253 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 7.66153 8.8603 5.8801 14.0829 12.5353 15.9169 18.2309 8.37865 20.1127 numMergedOcc 0
83 mol 259 unq 1 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 7.66153 5.8801 8.8603 14.0829 12.5353 18.2309 15.9169 8.37865 20.1127 numMergedOcc 0
84 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 9.63573 7.20604 5.21606 9.98303 12.5353 15.9169 11.858 8.37865 17.0253 numMergedOcc 0
85 mol 259 unq 2 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 9.63573 5.21606 7.20604 9.98303 12.5353 11.858 15.9169 8.37865 17.0253 numMergedOcc 0
86 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 7.66153 8.8603 11.8896 14.0829 12.5353 15.9169 11.858 8.37865 20.1127 numMergedOcc 0
87 mol 259 unq 3 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 7.66153 11.8896 8.8603 14.0829 12.5353 11.858 15.9169 8.37865 20.1127 numMergedOcc 0
88 mol 259 unq 4 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 9.63573 7.20604 7.46841 9.98303 12.5353 15.9169 20.3294 8.37865 17.0253 numMergedOcc 0
89 mol 259 unq 4 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 9.63573 7.46841 7.20604 9.98303 12.5353 20.3294 15.9169 8.37865 17.0253 numMergedOcc 0
90 mol 259 unq 5 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 7.66153 8.8603 5.81576 14.0829 12.5353 15.9169 20.3294 8.37865 20.1127 numMergedOcc 0
91 mol 259 unq 5 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 7.66153 5.81576 8.8603 14.0829 12.5353 20.3294 15.9169 8.37865 20.1127 numMergedOcc 0
92 mol 259 unq 2 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 9.63573 5.05362 5.21606 9.98303 12.5353 18.2309 11.858 8.37865 17.0253 numMergedOcc 0
93 mol 259 unq 2 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 9.63573 5.21606 5.05362 9.98303 12.5353 11.858 18.2309 8.37865 17.0253 numMergedOcc 0
94 mol 259 unq 3 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 7.66153 5.8801 11.8896 14.0829 12.5353 18.2309 11.858 8.37865 20.1127 numMergedOcc 0
95 mol 259 unq 3 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 7.66153 11.8896 5.8801 14.0829 12.5353 11.858 18.2309 8.37865 20.1127 numMergedOcc 0
96 mol 259 unq 4 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 9.63573 5.05362 7.46841 9.98303 12.5353 18.2309 20.3294 8.37865 17.0253 numMergedOcc 0
97 mol 259 unq 4 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 9.63573 7.46841 5.05362 9.98303 12.5353 20.3294 18.2309 8.37865 17.0253 numMergedOcc 0
98 mol 259 unq 5 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 7.66153 5.8801 5.81576 14.0829 12.5353 18.2309 20.3294 8.37865 20.1127 numMergedOcc 0
99 mol 259 unq 5 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 7.66153 5.81576 5.8801 14.0829 12.5353 20.3294 18.2309 8.37865 20.1127 numMergedOcc 0
100 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 9.63573 5.21606 7.46841 9.98303 12.5353 11.858 20.3294 8.37865 17.0253 numMergedOcc 0
101 mol 259 unq 4 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 9.63573 7.46841 5.21606 9.98303 12.5353 20.3294 11.858 8.37865 17.0253 numMergedOcc 0
102 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 7.66153 11.8896 5.81576 14.0829 12.5353 11.858 20.3294 8.37865 20.1127 numMergedOcc 0
103 mol 259 unq 5 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 7.66153 5.81576 11.8896 14.0829 12.5353 20.3294 11.858 8.37865 20.1127 numMergedOcc 0
104 mol 276 unq 0 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 8.6759 9.39944 8.26321 13.5196 8.88126 10.1216 12.3012 9.38971 14.4279 numMergedOcc 0
105 mol 276 unq 0 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 8.6759 8.26321 9.39944 13.5196 8.88126 12.3012 10.1216 9.38971 14.4279 numMergedOcc 0
106 mol 276 unq 1 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 8.6759 9.39944 8.26321 13.5196 5.50479 13.1345 10.1395 8.71541 14.151 numMergedOcc 0
107 mol 276 unq 1 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 8.6759 8.26321 9.39944 13.5196 5.50479 10.1395 13.1345 8.71541 14.151 numMergedOcc 0
