0 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 7.78708 9.38012 9.55318 7.84393 10.5285 9.84922 8.01051 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.3147 9.79426 17.1338 7.84393 10.5285 9.84922 7.78708 9.38012 9.55318 8.01051 numMergedOcc 0
2 mol 19 unq 0 iso 2 dist 9.79426 9.3147 17.1338 7.78708 9.55318 9.38012 7.84393 9.84922 10.5285 8.01051 numMergedOcc 0
3 mol 19 unq 0 iso 3 dist 9.79426 9.3147 17.1338 7.84393 9.84922 10.5285 7.78708 9.55318 9.38012 8.01051 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 6.30194 5.2774 5.44275 5.7113 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 4.24428 8.04817 9.76331 5.7113 numMergedOcc 0
6 mol 73 unq 0 iso 2 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 6.30194 5.44275 5.2774 5.7113 numMergedOcc 0
7 mol 73 unq 0 iso 3 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 4.24428 9.76331 8.04817 5.7113 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 6.30194 5.2774 8.0624 5.7113 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 4.24428 8.04817 10.4402 5.7113 numMergedOcc 0
10 mol 73 unq 1 iso 2 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 6.30194 8.0624 5.2774 5.7113 numMergedOcc 0
11 mol 73 unq 1 iso 3 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 4.24428 10.4402 8.04817 5.7113 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 6.30194 5.44275 8.0624 5.7113 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 4.24428 9.76331 10.4402 5.7113 numMergedOcc 0
14 mol 73 unq 1 iso 2 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 6.30194 8.0624 5.44275 5.7113 numMergedOcc 0
15 mol 73 unq 1 iso 3 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 4.24428 10.4402 9.76331 5.7113 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.89636 9.49608 5.34579 7.118 6.33557 9.95193 8.24814 4.67917 5.10798 5.64643 numMergedOcc 0
17 mol 75 unq 0 iso 1 dist 7.89636 9.49608 5.34579 8.24814 4.67917 5.10798 7.118 6.33557 9.95193 5.64643 numMergedOcc 0
18 mol 75 unq 0 iso 2 dist 9.49608 7.89636 5.34579 7.118 9.95193 6.33557 8.24814 5.10798 4.67917 5.64643 numMergedOcc 0
19 mol 75 unq 0 iso 3 dist 9.49608 7.89636 5.34579 8.24814 5.10798 4.67917 7.118 9.95193 6.33557 5.64643 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 8.63522 5.43401 3.9342 7.48277 10.8684 9.76734 9.0361 10.2218 8.17186 9.15076 numMergedOcc 0
21 mol 102 unq 0 iso 1 dist 8.63522 5.43401 3.9342 9.0361 10.2218 8.17186 7.48277 10.8684 9.76734 9.15076 numMergedOcc 0
22 mol 102 unq 0 iso 2 dist 5.43401 8.63522 3.9342 7.48277 9.76734 10.8684 9.0361 8.17186 10.2218 9.15076 numMergedOcc 0
23 mol 102 unq 0 iso 3 dist 5.43401 8.63522 3.9342 9.0361 8.17186 10.2218 7.48277 9.76734 10.8684 9.15076 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 9.45659 11.0866 7.39186 5.35493 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 8.6609 6.21546 6.77498 9.45659 11.0866 7.39186 6.73365 6.15969 5.50014 5.35493 numMergedOcc 0
26 mol 175 unq 0 iso 2 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.45659 7.39186 11.0866 5.35493 numMergedOcc 0
27 mol 175 unq 0 iso 3 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 6.73365 5.50014 6.15969 5.35493 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 9.44856 13.5907 7.05768 9.63234 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 8.6609 6.21546 6.77498 9.44856 13.5907 7.05768 6.73365 6.15969 5.50014 9.63234 numMergedOcc 0
30 mol 175 unq 1 iso 2 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.44856 7.05768 13.5907 9.63234 numMergedOcc 0
31 mol 175 unq 1 iso 3 dist 6.21546 8.6609 6.77498 9.44856 7.05768 13.5907 6.73365 5.50014 6.15969 9.63234 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.6609 6.21546 6.77498 9.45659 11.0866 7.39186 9.44856 13.5907 7.05768 6.80157 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 8.6609 6.21546 6.77498 9.44856 13.5907 7.05768 9.45659 11.0866 7.39186 6.80157 numMergedOcc 0
34 mol 175 unq 1 iso 2 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 9.44856 7.05768 13.5907 6.80157 numMergedOcc 0
35 mol 175 unq 1 iso 3 dist 6.21546 8.6609 6.77498 9.44856 7.05768 13.5907 9.45659 7.39186 11.0866 6.80157 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.45659 11.0866 5.77256 5.35493 numMergedOcc 0
37 mol 175 unq 2 iso 1 dist 8.6609 6.03184 12.0951 9.45659 11.0866 5.77256 6.73365 6.15969 7.28617 5.35493 numMergedOcc 0
38 mol 175 unq 2 iso 2 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.45659 5.77256 11.0866 5.35493 numMergedOcc 0
39 mol 175 unq 2 iso 3 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 6.73365 7.28617 6.15969 5.35493 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.44856 13.5907 4.96871 9.63234 numMergedOcc 0
41 mol 175 unq 3 iso 1 dist 8.6609 6.03184 12.0951 9.44856 13.5907 4.96871 6.73365 6.15969 7.28617 9.63234 numMergedOcc 0
42 mol 175 unq 3 iso 2 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.44856 4.96871 13.5907 9.63234 numMergedOcc 0
43 mol 175 unq 3 iso 3 dist 6.03184 8.6609 12.0951 9.44856 4.96871 13.5907 6.73365 7.28617 6.15969 9.63234 numMergedOcc 0
44 mol 175 unq 3 iso 0 dist 8.6609 6.03184 12.0951 9.45659 11.0866 5.77256 9.44856 13.5907 4.96871 6.80157 numMergedOcc 0
45 mol 175 unq 3 iso 1 dist 8.6609 6.03184 12.0951 9.44856 13.5907 4.96871 9.45659 11.0866 5.77256 6.80157 numMergedOcc 0
46 mol 175 unq 3 iso 2 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 9.44856 4.96871 13.5907 6.80157 numMergedOcc 0
47 mol 175 unq 3 iso 3 dist 6.03184 8.6609 12.0951 9.44856 4.96871 13.5907 9.45659 5.77256 11.0866 6.80157 numMergedOcc 0
48 mol 175 unq 2 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.45659 7.39186 5.77256 5.35493 numMergedOcc 0
49 mol 175 unq 2 iso 1 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 6.73365 5.50014 7.28617 5.35493 numMergedOcc 0
50 mol 175 unq 2 iso 2 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.45659 5.77256 7.39186 5.35493 numMergedOcc 0
51 mol 175 unq 2 iso 3 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 6.73365 7.28617 5.50014 5.35493 numMergedOcc 0
52 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.44856 7.05768 4.96871 9.63234 numMergedOcc 0
53 mol 175 unq 3 iso 1 dist 6.21546 6.03184 7.01839 9.44856 7.05768 4.96871 6.73365 5.50014 7.28617 9.63234 numMergedOcc 0
54 mol 175 unq 3 iso 2 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.44856 4.96871 7.05768 9.63234 numMergedOcc 0
55 mol 175 unq 3 iso 3 dist 6.03184 6.21546 7.01839 9.44856 4.96871 7.05768 6.73365 7.28617 5.50014 9.63234 numMergedOcc 0
56 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 9.44856 7.05768 4.96871 6.80157 numMergedOcc 0
57 mol 175 unq 3 iso 1 dist 6.21546 6.03184 7.01839 9.44856 7.05768 4.96871 9.45659 7.39186 5.77256 6.80157 numMergedOcc 0
58 mol 175 unq 3 iso 2 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 9.44856 4.96871 7.05768 6.80157 numMergedOcc 0
59 mol 175 unq 3 iso 3 dist 6.03184 6.21546 7.01839 9.44856 4.96871 7.05768 9.45659 5.77256 7.39186 6.80157 numMergedOcc 0
60 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 9.94212 18.385 19.0281 7.34316 8.16187 11.2364 12.3422 numMergedOcc 0
61 mol 223 unq 0 iso 1 dist 9.29204 9.14789 4.44825 7.34316 8.16187 11.2364 9.94212 18.385 19.0281 12.3422 numMergedOcc 0
62 mol 223 unq 0 iso 2 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 7.34316 11.2364 8.16187 12.3422 numMergedOcc 0
63 mol 223 unq 0 iso 3 dist 9.14789 9.29204 4.44825 7.34316 11.2364 8.16187 9.94212 19.0281 18.385 12.3422 numMergedOcc 0
64 mol 223 unq 1 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 7.34316 8.16187 11.4951 12.3422 numMergedOcc 0
65 mol 223 unq 1 iso 1 dist 9.29204 7.80764 16.0208 7.34316 8.16187 11.4951 9.94212 18.385 4.67731 12.3422 numMergedOcc 0
66 mol 223 unq 1 iso 2 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 7.34316 11.4951 8.16187 12.3422 numMergedOcc 0
67 mol 223 unq 1 iso 3 dist 7.80764 9.29204 16.0208 7.34316 11.4951 8.16187 9.94212 4.67731 18.385 12.3422 numMergedOcc 0
68 mol 223 unq 2 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 7.34316 8.16187 5.18719 12.3422 numMergedOcc 0
69 mol 223 unq 2 iso 1 dist 9.29204 5.75896 11.898 7.34316 8.16187 5.18719 9.94212 18.385 7.19485 12.3422 numMergedOcc 0
70 mol 223 unq 2 iso 2 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 7.34316 5.18719 8.16187 12.3422 numMergedOcc 0
71 mol 223 unq 2 iso 3 dist 5.75896 9.29204 11.898 7.34316 5.18719 8.16187 9.94212 7.19485 18.385 12.3422 numMergedOcc 0
72 mol 223 unq 1 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 7.34316 11.2364 11.4951 12.3422 numMergedOcc 0
73 mol 223 unq 1 iso 1 dist 9.14789 7.80764 16.2327 7.34316 11.2364 11.4951 9.94212 19.0281 4.67731 12.3422 numMergedOcc 0
74 mol 223 unq 1 iso 2 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 7.34316 11.4951 11.2364 12.3422 numMergedOcc 0
75 mol 223 unq 1 iso 3 dist 7.80764 9.14789 16.2327 7.34316 11.4951 11.2364 9.94212 4.67731 19.0281 12.3422 numMergedOcc 0
76 mol 223 unq 2 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 7.34316 11.2364 5.18719 12.3422 numMergedOcc 0
77 mol 223 unq 2 iso 1 dist 9.14789 5.75896 13.5741 7.34316 11.2364 5.18719 9.94212 19.0281 7.19485 12.3422 numMergedOcc 0
78 mol 223 unq 2 iso 2 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 7.34316 5.18719 11.2364 12.3422 numMergedOcc 0
79 mol 223 unq 2 iso 3 dist 5.75896 9.14789 13.5741 7.34316 5.18719 11.2364 9.94212 7.19485 19.0281 12.3422 numMergedOcc 0
80 mol 223 unq 2 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 7.34316 11.4951 5.18719 12.3422 numMergedOcc 0
81 mol 223 unq 2 iso 1 dist 7.80764 5.75896 7.12929 7.34316 11.4951 5.18719 9.94212 4.67731 7.19485 12.3422 numMergedOcc 0
82 mol 223 unq 2 iso 2 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 7.34316 5.18719 11.4951 12.3422 numMergedOcc 0
83 mol 223 unq 2 iso 3 dist 5.75896 7.80764 7.12929 7.34316 5.18719 11.4951 9.94212 7.19485 4.67731 12.3422 numMergedOcc 0
84 mol 230 unq 0 iso 0 dist 7.43793 8.4739 5.27013 9.12305 6.87235 9.94041 9.30906 5.4427 5.52842 5.46301 numMergedOcc 0
85 mol 230 unq 0 iso 1 dist 7.43793 8.4739 5.27013 9.30906 5.4427 5.52842 9.12305 6.87235 9.94041 5.46301 numMergedOcc 0
86 mol 230 unq 0 iso 2 dist 8.4739 7.43793 5.27013 9.12305 9.94041 6.87235 9.30906 5.52842 5.4427 5.46301 numMergedOcc 0
87 mol 230 unq 0 iso 3 dist 8.4739 7.43793 5.27013 9.30906 5.52842 5.4427 9.12305 9.94041 6.87235 5.46301 numMergedOcc 0
88 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 8.89538 10.4952 7.22173 7.98022 6.62361 5.96552 13.0839 numMergedOcc 0
89 mol 238 unq 0 iso 1 dist 6.74214 5.33462 4.85921 7.98022 6.62361 5.96552 8.89538 10.4952 7.22173 13.0839 numMergedOcc 0
90 mol 238 unq 0 iso 2 dist 5.33462 6.74214 4.85921 8.89538 7.22173 10.4952 7.98022 5.96552 6.62361 13.0839 numMergedOcc 0
91 mol 238 unq 0 iso 3 dist 5.33462 6.74214 4.85921 7.98022 5.96552 6.62361 8.89538 7.22173 10.4952 13.0839 numMergedOcc 0
92 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 9.67877 5.09738 10.4667 8.81059 13.8694 9.22664 17.2075 numMergedOcc 0
93 mol 258 unq 0 iso 1 dist 6.08181 7.70189 9.86352 8.81059 13.8694 9.22664 9.67877 5.09738 10.4667 17.2075 numMergedOcc 0
94 mol 258 unq 0 iso 2 dist 7.70189 6.08181 9.86352 9.67877 10.4667 5.09738 8.81059 9.22664 13.8694 17.2075 numMergedOcc 0
95 mol 258 unq 0 iso 3 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.67877 10.4667 5.09738 17.2075 numMergedOcc 0
96 mol 258 unq 1 iso 0 dist 6.08181 7.70189 9.86352 9.67877 5.09738 10.4667 9.12006 14.0402 13.0489 18.4031 numMergedOcc 0
97 mol 258 unq 1 iso 1 dist 6.08181 7.70189 9.86352 9.12006 14.0402 13.0489 9.67877 5.09738 10.4667 18.4031 numMergedOcc 0
98 mol 258 unq 1 iso 2 dist 7.70189 6.08181 9.86352 9.67877 10.4667 5.09738 9.12006 13.0489 14.0402 18.4031 numMergedOcc 0
99 mol 258 unq 1 iso 3 dist 7.70189 6.08181 9.86352 9.12006 13.0489 14.0402 9.67877 10.4667 5.09738 18.4031 numMergedOcc 0
100 mol 258 unq 1 iso 0 dist 6.08181 7.70189 9.86352 8.81059 13.8694 9.22664 9.12006 14.0402 13.0489 5.30627 numMergedOcc 0
101 mol 258 unq 1 iso 1 dist 6.08181 7.70189 9.86352 9.12006 14.0402 13.0489 8.81059 13.8694 9.22664 5.30627 numMergedOcc 0
102 mol 258 unq 1 iso 2 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.12006 13.0489 14.0402 5.30627 numMergedOcc 0
103 mol 258 unq 1 iso 3 dist 7.70189 6.08181 9.86352 9.12006 13.0489 14.0402 8.81059 9.22664 13.8694 5.30627 numMergedOcc 0
104 mol 272 unq 0 iso 0 dist 7.50321 9.61597 5.09845 4.78812 5.96981 6.76845 6.62923 7.55961 5.43733 5.40809 numMergedOcc 0
105 mol 272 unq 0 iso 1 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 4.78812 5.96981 6.76845 5.40809 numMergedOcc 0
106 mol 272 unq 0 iso 2 dist 9.61597 7.50321 5.09845 4.78812 6.76845 5.96981 6.62923 5.43733 7.55961 5.40809 numMergedOcc 0
107 mol 272 unq 0 iso 3 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 4.78812 6.76845 5.96981 5.40809 numMergedOcc 0
108 mol 274 unq 0 iso 0 dist 6.44266 8.75703 10.3541 9.79674 9.61244 10.7877 8.3291 6.57235 4.97216 9.12834 numMergedOcc 0
109 mol 274 unq 0 iso 1 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 9.79674 9.61244 10.7877 9.12834 numMergedOcc 0
110 mol 274 unq 0 iso 2 dist 8.75703 6.44266 10.3541 9.79674 10.7877 9.61244 8.3291 4.97216 6.57235 9.12834 numMergedOcc 0
111 mol 274 unq 0 iso 3 dist 8.75703 6.44266 10.3541 8.3291 4.97216 6.57235 9.79674 10.7877 9.61244 9.12834 numMergedOcc 0
