0 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 8.14351 6.20293 13.1056 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 15.1595 8.80331 14.0204 8.13395 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 9.1013 9.25011 11.0491 4.73512 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 8.46609 9.47661 7.15352 9.1013 9.25011 11.0491 4.72836 6.65595 9.28444 4.73512 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 12.4802 6.43294 4.80738 10.6819 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 4.72836 6.65595 9.28444 10.6819 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 11.7276 8.52121 6.28337 8.93946 numMergedOcc 0
7 mol 60 unq 2 iso 1 dist 8.46609 9.47661 7.15352 11.7276 8.52121 6.28337 4.72836 6.65595 9.28444 8.93946 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.46609 9.47661 7.15352 9.1013 9.25011 11.0491 12.4802 6.43294 4.80738 11.3621 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 9.1013 9.25011 11.0491 11.3621 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 9.1013 9.25011 11.0491 11.7276 8.52121 6.28337 7.66664 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 8.46609 9.47661 7.15352 11.7276 8.52121 6.28337 9.1013 9.25011 11.0491 7.66664 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 11.7276 8.52121 6.28337 5.51199 numMergedOcc 0
13 mol 60 unq 2 iso 1 dist 8.46609 9.47661 7.15352 11.7276 8.52121 6.28337 12.4802 6.43294 4.80738 5.51199 numMergedOcc 0
14 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 10.4239 7.79912 14.2474 12.0967 8.56639 12.103 5.64643 numMergedOcc 0
15 mol 75 unq 0 iso 1 dist 8.64872 9.2905 9.20448 12.0967 8.56639 12.103 10.4239 7.79912 14.2474 5.64643 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 8.64872 9.2905 9.20448 10.4239 7.79912 14.2474 9.60759 8.59017 5.76778 10.4899 numMergedOcc 0
17 mol 75 unq 1 iso 1 dist 8.64872 9.2905 9.20448 9.60759 8.59017 5.76778 10.4239 7.79912 14.2474 10.4899 numMergedOcc 0
18 mol 75 unq 1 iso 0 dist 8.64872 9.2905 9.20448 12.0967 8.56639 12.103 9.60759 8.59017 5.76778 7.00674 numMergedOcc 0
19 mol 75 unq 1 iso 1 dist 8.64872 9.2905 9.20448 9.60759 8.59017 5.76778 12.0967 8.56639 12.103 7.00674 numMergedOcc 0
20 mol 75 unq 2 iso 0 dist 8.64872 9.39059 6.96759 10.4239 7.79912 13.8905 12.0967 8.56639 12.899 5.64643 numMergedOcc 0
21 mol 75 unq 2 iso 1 dist 8.64872 9.39059 6.96759 12.0967 8.56639 12.899 10.4239 7.79912 13.8905 5.64643 numMergedOcc 0
22 mol 75 unq 3 iso 0 dist 8.64872 9.39059 6.96759 10.4239 7.79912 13.8905 9.60759 8.59017 8.41332 10.4899 numMergedOcc 0
23 mol 75 unq 3 iso 1 dist 8.64872 9.39059 6.96759 9.60759 8.59017 8.41332 10.4239 7.79912 13.8905 10.4899 numMergedOcc 0
24 mol 75 unq 3 iso 0 dist 8.64872 9.39059 6.96759 12.0967 8.56639 12.899 9.60759 8.59017 8.41332 7.00674 numMergedOcc 0
25 mol 75 unq 3 iso 1 dist 8.64872 9.39059 6.96759 9.60759 8.59017 8.41332 12.0967 8.56639 12.899 7.00674 numMergedOcc 0
26 mol 75 unq 4 iso 0 dist 8.64872 4.6252 6.97318 10.4239 7.79912 11.2774 12.0967 8.56639 11.0206 5.64643 numMergedOcc 0
27 mol 75 unq 4 iso 1 dist 8.64872 4.6252 6.97318 12.0967 8.56639 11.0206 10.4239 7.79912 11.2774 5.64643 numMergedOcc 0
28 mol 75 unq 5 iso 0 dist 8.64872 4.6252 6.97318 10.4239 7.79912 11.2774 9.60759 8.59017 6.56982 10.4899 numMergedOcc 0
29 mol 75 unq 5 iso 1 dist 8.64872 4.6252 6.97318 9.60759 8.59017 6.56982 10.4239 7.79912 11.2774 10.4899 numMergedOcc 0
30 mol 75 unq 5 iso 0 dist 8.64872 4.6252 6.97318 12.0967 8.56639 11.0206 9.60759 8.59017 6.56982 7.00674 numMergedOcc 0
31 mol 75 unq 5 iso 1 dist 8.64872 4.6252 6.97318 9.60759 8.59017 6.56982 12.0967 8.56639 11.0206 7.00674 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 6.86762 5.83991 4.75197 7.69052 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 10.3475 9.33865 10.9791 7.69052 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 7.00798 6.59051 9.1987 5.57978 8.54584 10.4463 6.05033 8.53613 7.40266 4.61027 numMergedOcc 0
35 mol 129 unq 0 iso 1 dist 7.00798 6.59051 9.1987 6.05033 8.53613 7.40266 5.57978 8.54584 10.4463 4.61027 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 8.76089 7.11802 5.34829 6.80087 8.00618 9.67676 8.18495 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 8.76089 7.11802 5.34829 8.18495 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 8.41711 6.70283 13.793 7.65448 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 14.8573 8.56324 13.1435 7.65448 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 4.82496 7.16148 11.2124 10.6875 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 14.8573 8.56324 13.1435 10.6875 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 4.82496 7.16148 11.2124 5.49936 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 8.41711 6.70283 13.793 5.49936 numMergedOcc 0
44 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 7.57303 6.43573 10.2893 5.34677 numMergedOcc 0
45 mol 178 unq 0 iso 1 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 6.96904 6.69288 14.4816 5.34677 numMergedOcc 0
46 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 14.0459 7.17202 9.7684 11.7381 numMergedOcc 0
47 mol 178 unq 1 iso 1 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 6.96904 6.69288 14.4816 11.7381 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 14.3001 8.81551 5.37264 14.0703 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 6.96904 6.69288 14.4816 14.0703 numMergedOcc 0
50 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 14.0459 7.17202 9.7684 9.89739 numMergedOcc 0
51 mol 178 unq 1 iso 1 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 7.57303 6.43573 10.2893 9.89739 numMergedOcc 0
52 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 14.3001 8.81551 5.37264 10.5529 numMergedOcc 0
53 mol 178 unq 2 iso 1 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 7.57303 6.43573 10.2893 10.5529 numMergedOcc 0
54 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 14.3001 8.81551 5.37264 5.18005 numMergedOcc 0
55 mol 178 unq 2 iso 1 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 14.0459 7.17202 9.7684 5.18005 numMergedOcc 0
56 mol 178 unq 3 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 7.31401 6.43573 10.2893 5.34677 numMergedOcc 0
57 mol 178 unq 3 iso 1 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 11.5509 6.69288 14.4816 5.34677 numMergedOcc 0
58 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 5.91018 7.17202 9.7684 11.7381 numMergedOcc 0
59 mol 178 unq 4 iso 1 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 11.5509 6.69288 14.4816 11.7381 numMergedOcc 0
60 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 4.92895 8.81551 5.37264 14.0703 numMergedOcc 0
61 mol 178 unq 5 iso 1 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 11.5509 6.69288 14.4816 14.0703 numMergedOcc 0
62 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 5.91018 7.17202 9.7684 9.89739 numMergedOcc 0
63 mol 178 unq 4 iso 1 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 7.31401 6.43573 10.2893 9.89739 numMergedOcc 0
64 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 4.92895 8.81551 5.37264 10.5529 numMergedOcc 0
65 mol 178 unq 5 iso 1 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 7.31401 6.43573 10.2893 10.5529 numMergedOcc 0
66 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 4.92895 8.81551 5.37264 5.18005 numMergedOcc 0
67 mol 178 unq 5 iso 1 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 5.91018 7.17202 9.7684 5.18005 numMergedOcc 0
68 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 8.35604 8.51516 10.2677 10.8344 numMergedOcc 0
69 mol 204 unq 0 iso 1 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 5.21426 7.10633 10.5243 10.8344 numMergedOcc 0
70 mol 204 unq 1 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 12.1292 8.51516 10.2677 10.8344 numMergedOcc 0
71 mol 204 unq 1 iso 1 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 5.57112 7.10633 10.5243 10.8344 numMergedOcc 0
72 mol 206 unq 0 iso 0 dist 7.51923 4.45877 8.95375 5.39127 8.02137 6.84704 5.1071 9.774 7.72969 10.4 numMergedOcc 0
73 mol 206 unq 0 iso 1 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 5.39127 8.02137 6.84704 10.4 numMergedOcc 0
74 mol 206 unq 1 iso 0 dist 7.51923 10.6096 9.29007 5.39127 8.02137 12.4178 5.1071 9.774 9.9578 10.4 numMergedOcc 0
75 mol 206 unq 1 iso 1 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 5.39127 8.02137 12.4178 10.4 numMergedOcc 0
76 mol 224 unq 0 iso 0 dist 8.47457 5.39078 8.80858 5.15333 6.65832 4.46743 8.1404 6.60589 4.93626 6.77699 numMergedOcc 0
77 mol 224 unq 0 iso 1 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 5.15333 6.65832 4.46743 6.77699 numMergedOcc 0
78 mol 224 unq 1 iso 0 dist 8.47457 5.39078 8.80858 5.15333 6.65832 4.46743 15.1783 9.16166 11.8641 11.328 numMergedOcc 0
79 mol 224 unq 1 iso 1 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 5.15333 6.65832 4.46743 11.328 numMergedOcc 0
80 mol 224 unq 1 iso 0 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 15.1783 9.16166 11.8641 8.49799 numMergedOcc 0
81 mol 224 unq 1 iso 1 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 8.1404 6.60589 4.93626 8.49799 numMergedOcc 0
82 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 11.8245 8.34494 4.82695 12.4455 6.56247 4.93623 6.29886 numMergedOcc 0
83 mol 234 unq 0 iso 1 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 11.8245 8.34494 4.82695 6.29886 numMergedOcc 0
84 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 11.8245 8.34494 4.82695 14.0876 9.36357 11.7817 12.1694 numMergedOcc 0
85 mol 234 unq 1 iso 1 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 11.8245 8.34494 4.82695 12.1694 numMergedOcc 0
86 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 14.0876 9.36357 11.7817 7.82322 numMergedOcc 0
87 mol 234 unq 1 iso 1 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 12.4455 6.56247 4.93623 7.82322 numMergedOcc 0
88 mol 234 unq 2 iso 0 dist 6.6281 6.70367 5.46736 6.65785 8.34494 4.82695 10.0624 6.56247 4.93623 6.29886 numMergedOcc 0
89 mol 234 unq 2 iso 1 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 6.65785 8.34494 4.82695 6.29886 numMergedOcc 0
90 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 6.65785 8.34494 4.82695 13.9869 9.36357 11.7817 12.1694 numMergedOcc 0
91 mol 234 unq 3 iso 1 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 6.65785 8.34494 4.82695 12.1694 numMergedOcc 0
92 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 13.9869 9.36357 11.7817 7.82322 numMergedOcc 0
93 mol 234 unq 3 iso 1 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 10.0624 6.56247 4.93623 7.82322 numMergedOcc 0
94 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 13.3575 7.68742 13.7246 5.79505 numMergedOcc 0
95 mol 236 unq 0 iso 1 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 13.7629 9.81562 15.6279 5.79505 numMergedOcc 0
96 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 5.03598 6.27581 10.5269 9.90963 numMergedOcc 0
97 mol 236 unq 1 iso 1 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 13.7629 9.81562 15.6279 9.90963 numMergedOcc 0
98 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 5.03598 6.27581 10.5269 11.3368 numMergedOcc 0
99 mol 236 unq 1 iso 1 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 13.3575 7.68742 13.7246 11.3368 numMergedOcc 0
