0 mol 24 unq 0 iso 0 dist 6.80849 14.0145 9.90845 13.9888 8.86116 9.59761 10.1696 8.38394 9.89489 6.44287 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.80849 14.0145 9.90845 10.1696 8.38394 9.89489 13.9888 8.86116 9.59761 6.44287 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 15.1595 8.80331 10.323 8.14351 6.20293 14.445 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.47617 17.2393 9.74445 8.14351 6.20293 14.445 15.1595 8.80331 10.323 8.13395 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 12.423 6.59893 13.1047 9.5589 11.9881 10.0565 6.83299 10.3564 5.08001 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 6.13476 12.423 6.59893 10.0565 6.83299 10.3564 13.1047 9.5589 11.9881 5.08001 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.13476 12.423 6.59893 13.1047 9.5589 11.9881 5.77448 8.10861 12.4254 16.3192 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 6.13476 12.423 6.59893 5.77448 8.10861 12.4254 13.1047 9.5589 11.9881 16.3192 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.13476 12.423 6.59893 10.0565 6.83299 10.3564 5.77448 8.10861 12.4254 14.2075 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.13476 12.423 6.59893 5.77448 8.10861 12.4254 10.0565 6.83299 10.3564 14.2075 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 6.13476 9.45804 5.59773 13.1047 9.5589 13.9079 10.0565 6.83299 10.4238 5.08001 numMergedOcc 0
11 mol 54 unq 2 iso 1 dist 6.13476 9.45804 5.59773 10.0565 6.83299 10.4238 13.1047 9.5589 13.9079 5.08001 numMergedOcc 0
12 mol 54 unq 3 iso 0 dist 6.13476 9.45804 5.59773 13.1047 9.5589 13.9079 5.77448 8.10861 10.1356 16.3192 numMergedOcc 0
13 mol 54 unq 3 iso 1 dist 6.13476 9.45804 5.59773 5.77448 8.10861 10.1356 13.1047 9.5589 13.9079 16.3192 numMergedOcc 0
14 mol 54 unq 3 iso 0 dist 6.13476 9.45804 5.59773 10.0565 6.83299 10.4238 5.77448 8.10861 10.1356 14.2075 numMergedOcc 0
15 mol 54 unq 3 iso 1 dist 6.13476 9.45804 5.59773 5.77448 8.10861 10.1356 10.0565 6.83299 10.4238 14.2075 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 8.46609 4.46881 5.83937 4.72836 6.65595 6.62193 9.1013 9.25011 10.9885 4.73512 numMergedOcc 0
17 mol 60 unq 0 iso 1 dist 8.46609 4.46881 5.83937 9.1013 9.25011 10.9885 4.72836 6.65595 6.62193 4.73512 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 8.46609 4.46881 5.83937 4.72836 6.65595 6.62193 12.4802 6.43294 9.96073 10.6819 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 8.46609 4.46881 5.83937 12.4802 6.43294 9.96073 4.72836 6.65595 6.62193 10.6819 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.46609 4.46881 5.83937 4.72836 6.65595 6.62193 11.7276 8.52121 11.2445 8.93946 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 8.46609 4.46881 5.83937 11.7276 8.52121 11.2445 4.72836 6.65595 6.62193 8.93946 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 8.46609 4.46881 5.83937 9.1013 9.25011 10.9885 12.4802 6.43294 9.96073 11.3621 numMergedOcc 0
23 mol 60 unq 1 iso 1 dist 8.46609 4.46881 5.83937 12.4802 6.43294 9.96073 9.1013 9.25011 10.9885 11.3621 numMergedOcc 0
24 mol 60 unq 2 iso 0 dist 8.46609 4.46881 5.83937 9.1013 9.25011 10.9885 11.7276 8.52121 11.2445 7.66664 numMergedOcc 0
25 mol 60 unq 2 iso 1 dist 8.46609 4.46881 5.83937 11.7276 8.52121 11.2445 9.1013 9.25011 10.9885 7.66664 numMergedOcc 0
26 mol 60 unq 2 iso 0 dist 8.46609 4.46881 5.83937 12.4802 6.43294 9.96073 11.7276 8.52121 11.2445 5.51199 numMergedOcc 0
27 mol 60 unq 2 iso 1 dist 8.46609 4.46881 5.83937 11.7276 8.52121 11.2445 12.4802 6.43294 9.96073 5.51199 numMergedOcc 0
28 mol 60 unq 3 iso 0 dist 8.46609 9.54901 8.82095 4.72836 6.65595 5.63638 9.1013 9.25011 5.95814 4.73512 numMergedOcc 0
29 mol 60 unq 3 iso 1 dist 8.46609 9.54901 8.82095 9.1013 9.25011 5.95814 4.72836 6.65595 5.63638 4.73512 numMergedOcc 0
30 mol 60 unq 4 iso 0 dist 8.46609 9.54901 8.82095 4.72836 6.65595 5.63638 12.4802 6.43294 13.6099 10.6819 numMergedOcc 0
31 mol 60 unq 4 iso 1 dist 8.46609 9.54901 8.82095 12.4802 6.43294 13.6099 4.72836 6.65595 5.63638 10.6819 numMergedOcc 0
32 mol 60 unq 5 iso 0 dist 8.46609 9.54901 8.82095 4.72836 6.65595 5.63638 11.7276 8.52121 12.0142 8.93946 numMergedOcc 0
33 mol 60 unq 5 iso 1 dist 8.46609 9.54901 8.82095 11.7276 8.52121 12.0142 4.72836 6.65595 5.63638 8.93946 numMergedOcc 0
34 mol 60 unq 4 iso 0 dist 8.46609 9.54901 8.82095 9.1013 9.25011 5.95814 12.4802 6.43294 13.6099 11.3621 numMergedOcc 0
35 mol 60 unq 4 iso 1 dist 8.46609 9.54901 8.82095 12.4802 6.43294 13.6099 9.1013 9.25011 5.95814 11.3621 numMergedOcc 0
36 mol 60 unq 5 iso 0 dist 8.46609 9.54901 8.82095 9.1013 9.25011 5.95814 11.7276 8.52121 12.0142 7.66664 numMergedOcc 0
37 mol 60 unq 5 iso 1 dist 8.46609 9.54901 8.82095 11.7276 8.52121 12.0142 9.1013 9.25011 5.95814 7.66664 numMergedOcc 0
38 mol 60 unq 5 iso 0 dist 8.46609 9.54901 8.82095 12.4802 6.43294 13.6099 11.7276 8.52121 12.0142 5.51199 numMergedOcc 0
39 mol 60 unq 5 iso 1 dist 8.46609 9.54901 8.82095 11.7276 8.52121 12.0142 12.4802 6.43294 13.6099 5.51199 numMergedOcc 0
40 mol 95 unq 0 iso 0 dist 8.55238 12.2934 8.54906 7.30086 7.88289 6.6292 10.7376 9.01083 12.3193 8.18643 numMergedOcc 0
41 mol 95 unq 0 iso 1 dist 8.55238 12.2934 8.54906 10.7376 9.01083 12.3193 7.30086 7.88289 6.6292 8.18643 numMergedOcc 0
42 mol 95 unq 1 iso 0 dist 9.85406 9.32064 8.54906 10.2242 7.88289 6.6292 16.7843 9.01083 12.3193 8.18643 numMergedOcc 0
43 mol 95 unq 1 iso 1 dist 9.85406 9.32064 8.54906 16.7843 9.01083 12.3193 10.2242 7.88289 6.6292 8.18643 numMergedOcc 0
44 mol 95 unq 2 iso 0 dist 5.76199 4.32102 8.54906 5.58096 7.88289 6.6292 11.5715 9.01083 12.3193 8.18643 numMergedOcc 0
45 mol 95 unq 2 iso 1 dist 5.76199 4.32102 8.54906 11.5715 9.01083 12.3193 5.58096 7.88289 6.6292 8.18643 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 14.8573 8.56324 9.66339 8.41711 6.70283 13.9994 7.65448 numMergedOcc 0
47 mol 152 unq 0 iso 1 dist 9.0847 17.3026 9.10619 8.41711 6.70283 13.9994 14.8573 8.56324 9.66339 7.65448 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 9.0847 17.3026 9.10619 14.8573 8.56324 9.66339 4.82496 7.16148 14.2552 10.6875 numMergedOcc 0
49 mol 152 unq 1 iso 1 dist 9.0847 17.3026 9.10619 4.82496 7.16148 14.2552 14.8573 8.56324 9.66339 10.6875 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 9.0847 17.3026 9.10619 8.41711 6.70283 13.9994 4.82496 7.16148 14.2552 5.49936 numMergedOcc 0
51 mol 152 unq 1 iso 1 dist 9.0847 17.3026 9.10619 4.82496 7.16148 14.2552 8.41711 6.70283 13.9994 5.49936 numMergedOcc 0
52 mol 152 unq 2 iso 0 dist 6.00061 4.14546 9.74498 8.41711 8.67331 10.7816 4.82496 8.05741 7.26476 5.49936 numMergedOcc 0
53 mol 152 unq 2 iso 1 dist 6.00061 4.14546 9.74498 4.82496 8.05741 7.26476 8.41711 8.67331 10.7816 5.49936 numMergedOcc 0
54 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 6.96904 6.69288 12.2822 7.57303 6.43573 12.4338 5.34677 numMergedOcc 0
55 mol 178 unq 0 iso 1 dist 7.14849 7.17894 8.0974 7.57303 6.43573 12.4338 6.96904 6.69288 12.2822 5.34677 numMergedOcc 0
56 mol 178 unq 1 iso 0 dist 7.14849 7.17894 8.0974 6.96904 6.69288 12.2822 14.0459 7.17202 13.9722 11.7381 numMergedOcc 0
57 mol 178 unq 1 iso 1 dist 7.14849 7.17894 8.0974 14.0459 7.17202 13.9722 6.96904 6.69288 12.2822 11.7381 numMergedOcc 0
58 mol 178 unq 2 iso 0 dist 7.14849 7.17894 8.0974 6.96904 6.69288 12.2822 14.3001 8.81551 13.5599 14.0703 numMergedOcc 0
59 mol 178 unq 2 iso 1 dist 7.14849 7.17894 8.0974 14.3001 8.81551 13.5599 6.96904 6.69288 12.2822 14.0703 numMergedOcc 0
60 mol 178 unq 1 iso 0 dist 7.14849 7.17894 8.0974 7.57303 6.43573 12.4338 14.0459 7.17202 13.9722 9.89739 numMergedOcc 0
61 mol 178 unq 1 iso 1 dist 7.14849 7.17894 8.0974 14.0459 7.17202 13.9722 7.57303 6.43573 12.4338 9.89739 numMergedOcc 0
62 mol 178 unq 2 iso 0 dist 7.14849 7.17894 8.0974 7.57303 6.43573 12.4338 14.3001 8.81551 13.5599 10.5529 numMergedOcc 0
63 mol 178 unq 2 iso 1 dist 7.14849 7.17894 8.0974 14.3001 8.81551 13.5599 7.57303 6.43573 12.4338 10.5529 numMergedOcc 0
64 mol 178 unq 2 iso 0 dist 7.14849 7.17894 8.0974 14.0459 7.17202 13.9722 14.3001 8.81551 13.5599 5.18005 numMergedOcc 0
65 mol 178 unq 2 iso 1 dist 7.14849 7.17894 8.0974 14.3001 8.81551 13.5599 14.0459 7.17202 13.9722 5.18005 numMergedOcc 0
66 mol 178 unq 3 iso 0 dist 8.63718 15.0874 8.0974 11.5509 6.69288 12.2822 7.31401 6.43573 12.4338 5.34677 numMergedOcc 0
67 mol 178 unq 3 iso 1 dist 8.63718 15.0874 8.0974 7.31401 6.43573 12.4338 11.5509 6.69288 12.2822 5.34677 numMergedOcc 0
68 mol 178 unq 4 iso 0 dist 8.63718 15.0874 8.0974 11.5509 6.69288 12.2822 5.91018 7.17202 13.9722 11.7381 numMergedOcc 0
69 mol 178 unq 4 iso 1 dist 8.63718 15.0874 8.0974 5.91018 7.17202 13.9722 11.5509 6.69288 12.2822 11.7381 numMergedOcc 0
70 mol 178 unq 5 iso 0 dist 8.63718 15.0874 8.0974 11.5509 6.69288 12.2822 4.92895 8.81551 13.5599 14.0703 numMergedOcc 0
71 mol 178 unq 5 iso 1 dist 8.63718 15.0874 8.0974 4.92895 8.81551 13.5599 11.5509 6.69288 12.2822 14.0703 numMergedOcc 0
72 mol 178 unq 4 iso 0 dist 8.63718 15.0874 8.0974 7.31401 6.43573 12.4338 5.91018 7.17202 13.9722 9.89739 numMergedOcc 0
73 mol 178 unq 4 iso 1 dist 8.63718 15.0874 8.0974 5.91018 7.17202 13.9722 7.31401 6.43573 12.4338 9.89739 numMergedOcc 0
74 mol 178 unq 5 iso 0 dist 8.63718 15.0874 8.0974 7.31401 6.43573 12.4338 4.92895 8.81551 13.5599 10.5529 numMergedOcc 0
75 mol 178 unq 5 iso 1 dist 8.63718 15.0874 8.0974 4.92895 8.81551 13.5599 7.31401 6.43573 12.4338 10.5529 numMergedOcc 0
76 mol 178 unq 5 iso 0 dist 8.63718 15.0874 8.0974 5.91018 7.17202 13.9722 4.92895 8.81551 13.5599 5.18005 numMergedOcc 0
77 mol 178 unq 5 iso 1 dist 8.63718 15.0874 8.0974 4.92895 8.81551 13.5599 5.91018 7.17202 13.9722 5.18005 numMergedOcc 0
78 mol 224 unq 0 iso 0 dist 8.47457 5.57 7.39839 5.15333 6.65832 7.65225 8.1404 6.60589 4.91322 6.77699 numMergedOcc 0
79 mol 224 unq 0 iso 1 dist 8.47457 5.57 7.39839 8.1404 6.60589 4.91322 5.15333 6.65832 7.65225 6.77699 numMergedOcc 0
80 mol 224 unq 1 iso 0 dist 8.47457 5.57 7.39839 5.15333 6.65832 7.65225 15.1783 9.16166 12.979 11.328 numMergedOcc 0
81 mol 224 unq 1 iso 1 dist 8.47457 5.57 7.39839 15.1783 9.16166 12.979 5.15333 6.65832 7.65225 11.328 numMergedOcc 0
82 mol 224 unq 1 iso 0 dist 8.47457 5.57 7.39839 8.1404 6.60589 4.91322 15.1783 9.16166 12.979 8.49799 numMergedOcc 0
83 mol 224 unq 1 iso 1 dist 8.47457 5.57 7.39839 15.1783 9.16166 12.979 8.1404 6.60589 4.91322 8.49799 numMergedOcc 0
84 mol 234 unq 0 iso 0 dist 7.17032 3.90122 5.89084 5.44278 6.56247 4.74041 9.25445 9.45496 6.16697 5.88703 numMergedOcc 0
85 mol 234 unq 0 iso 1 dist 7.17032 3.90122 5.89084 9.25445 9.45496 6.16697 5.44278 6.56247 4.74041 5.88703 numMergedOcc 0
86 mol 248 unq 0 iso 0 dist 9.5107 10.5215 8.71859 11.8955 7.69895 4.53213 6.97887 7.21521 6.33032 5.55137 numMergedOcc 0
87 mol 248 unq 0 iso 1 dist 9.5107 10.5215 8.71859 6.97887 7.21521 6.33032 11.8955 7.69895 4.53213 5.55137 numMergedOcc 0
88 mol 248 unq 1 iso 0 dist 9.5107 10.5215 8.71859 11.8955 7.69895 4.53213 5.78576 8.2965 11.762 10.8081 numMergedOcc 0
89 mol 248 unq 1 iso 1 dist 9.5107 10.5215 8.71859 5.78576 8.2965 11.762 11.8955 7.69895 4.53213 10.8081 numMergedOcc 0
90 mol 248 unq 1 iso 0 dist 9.5107 10.5215 8.71859 6.97887 7.21521 6.33032 5.78576 8.2965 11.762 5.86196 numMergedOcc 0
91 mol 248 unq 1 iso 1 dist 9.5107 10.5215 8.71859 5.78576 8.2965 11.762 6.97887 7.21521 6.33032 5.86196 numMergedOcc 0
92 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 5.48552 8.53687 7.55268 5.56656 8.13497 5.71237 10.582 numMergedOcc 0
93 mol 259 unq 0 iso 1 dist 5.29682 4.98212 6.77279 5.56656 8.13497 5.71237 5.48552 8.53687 7.55268 10.582 numMergedOcc 0
94 mol 259 unq 1 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 6.08432 7.84554 9.10984 4.86771 numMergedOcc 0
95 mol 259 unq 1 iso 1 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 5.56656 7.88519 5.71237 4.86771 numMergedOcc 0
96 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 10.3156 7.46176 11.8501 6.96053 numMergedOcc 0
97 mol 259 unq 2 iso 1 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 5.56656 7.88519 5.71237 6.96053 numMergedOcc 0
98 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 9.55719 9.18903 13.9868 10.4881 numMergedOcc 0
99 mol 259 unq 3 iso 1 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 5.56656 7.88519 5.71237 10.4881 numMergedOcc 0
100 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 10.3156 7.46176 11.8501 7.64658 numMergedOcc 0
101 mol 259 unq 2 iso 1 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 6.08432 7.84554 9.10984 7.64658 numMergedOcc 0
102 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 9.55719 9.18903 13.9868 5.87173 numMergedOcc 0
103 mol 259 unq 3 iso 1 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 6.08432 7.84554 9.10984 5.87173 numMergedOcc 0
104 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 9.55719 9.18903 13.9868 10.5239 numMergedOcc 0
105 mol 259 unq 3 iso 1 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 10.3156 7.46176 11.8501 10.5239 numMergedOcc 0
