0 mol 0 unq 0 iso 0 dist 7.96742 7.19397 12.7706 5.55156 11.962 6.83587 7.1599 15.0192 7.19621 7.15528 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19397 7.96742 12.7706 5.55156 6.83587 11.962 7.1599 7.19621 15.0192 7.15528 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 8.24206 6.19218 9.98828 9.5614 13.3337 6.83587 5.25456 7.37981 7.19621 7.15528 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 6.19218 8.24206 9.98828 9.5614 6.83587 13.3337 5.25456 7.19621 7.37981 7.15528 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 6.22805 5.70161 4.57188 6.96396 12.2471 10.2729 7.10621 numMergedOcc 0
5 mol 7 unq 0 iso 1 dist 9.32945 8.0166 5.63739 6.22805 4.57188 5.70161 6.96396 10.2729 12.2471 7.10621 numMergedOcc 0
6 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 6.22805 5.70161 6.09254 6.96396 12.2471 7.21217 7.10621 numMergedOcc 0
7 mol 7 unq 1 iso 1 dist 9.90117 8.0166 10.2796 6.22805 6.09254 5.70161 6.96396 7.21217 12.2471 7.10621 numMergedOcc 0
8 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 6.22805 4.57188 6.09254 6.96396 10.2729 7.21217 7.10621 numMergedOcc 0
9 mol 7 unq 1 iso 1 dist 9.90117 9.32945 5.38328 6.22805 6.09254 4.57188 6.96396 7.21217 10.2729 7.10621 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 7.84393 10.5285 9.84922 9.01721 13.1233 13.8602 7.82074 numMergedOcc 0
11 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 7.84393 9.84922 10.5285 9.01721 13.8602 13.1233 7.82074 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 8.14932 6.17846 8.91253 8.66921 9.82646 5.33496 10.8918 16.6744 11.6303 9.67592 numMergedOcc 0
13 mol 64 unq 0 iso 1 dist 6.17846 8.14932 8.91253 8.66921 5.33496 9.82646 10.8918 11.6303 16.6744 9.67592 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 6.58444 11.905 14.8258 5.93252 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 6.58444 14.8258 11.905 5.93252 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 10.5627 6.89722 7.26679 6.19304 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 10.5627 7.26679 6.89722 6.19304 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 6.58444 11.905 14.0323 5.93252 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 6.58444 14.0323 11.905 5.93252 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 10.5627 6.89722 10.1503 6.19304 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 10.5627 10.1503 6.89722 6.19304 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 6.58444 14.8258 14.0323 5.93252 numMergedOcc 0
23 mol 73 unq 2 iso 1 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 6.58444 14.0323 14.8258 5.93252 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 10.5627 7.26679 10.1503 6.19304 numMergedOcc 0
25 mol 73 unq 3 iso 1 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 10.5627 10.1503 7.26679 6.19304 numMergedOcc 0
26 mol 75 unq 0 iso 0 dist 7.89636 9.49608 5.34579 7.118 6.33557 9.95193 5.06305 10.6919 11.1009 7.79912 numMergedOcc 0
27 mol 75 unq 0 iso 1 dist 9.49608 7.89636 5.34579 7.118 9.95193 6.33557 5.06305 11.1009 10.6919 7.79912 numMergedOcc 0
28 mol 75 unq 1 iso 0 dist 7.89636 9.49608 5.34579 8.24814 4.67917 5.10798 5.06305 10.6919 11.1009 8.56639 numMergedOcc 0
29 mol 75 unq 1 iso 1 dist 9.49608 7.89636 5.34579 8.24814 5.10798 4.67917 5.06305 11.1009 10.6919 8.56639 numMergedOcc 0
30 mol 102 unq 0 iso 0 dist 8.63522 5.43401 3.9342 9.0361 10.2218 8.17186 7.49575 12.8661 9.10229 7.36792 numMergedOcc 0
31 mol 102 unq 0 iso 1 dist 5.43401 8.63522 3.9342 9.0361 8.17186 10.2218 7.49575 9.10229 12.8661 7.36792 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 9.24515 7.18757 7.13921 5.24877 8.42445 10.2889 7.5732 numMergedOcc 0
33 mol 114 unq 0 iso 1 dist 8.9922 5.31281 5.67339 9.24515 7.13921 7.18757 5.24877 10.2889 8.42445 7.5732 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 5.73338 10.7272 8.69888 5.6234 numMergedOcc 0
35 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 5.73338 8.69888 10.7272 5.6234 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 12.753 14.7648 14.9263 9.92231 numMergedOcc 0
37 mol 175 unq 1 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 12.753 14.9263 14.7648 9.92231 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 8.6609 6.21546 6.77498 9.45659 11.0866 7.39186 5.73338 10.7272 8.69888 6.57069 numMergedOcc 0
39 mol 175 unq 2 iso 1 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 5.73338 8.69888 10.7272 6.57069 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 5.73338 10.7272 5.08206 5.6234 numMergedOcc 0
41 mol 175 unq 3 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 5.73338 5.08206 10.7272 5.6234 numMergedOcc 0
42 mol 175 unq 4 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 12.753 14.7648 11.7895 9.92231 numMergedOcc 0
43 mol 175 unq 4 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 12.753 11.7895 14.7648 9.92231 numMergedOcc 0
44 mol 175 unq 5 iso 0 dist 8.6609 6.03184 12.0951 9.45659 11.0866 5.77256 5.73338 10.7272 5.08206 6.57069 numMergedOcc 0
45 mol 175 unq 5 iso 1 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 5.73338 5.08206 10.7272 6.57069 numMergedOcc 0
46 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 5.73338 8.69888 5.08206 5.6234 numMergedOcc 0
47 mol 175 unq 3 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 5.73338 5.08206 8.69888 5.6234 numMergedOcc 0
48 mol 175 unq 4 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 12.753 14.9263 11.7895 9.92231 numMergedOcc 0
49 mol 175 unq 4 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 12.753 11.7895 14.9263 9.92231 numMergedOcc 0
50 mol 175 unq 5 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 5.73338 8.69888 5.08206 6.57069 numMergedOcc 0
51 mol 175 unq 5 iso 1 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 5.73338 5.08206 8.69888 6.57069 numMergedOcc 0
52 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 8.07523 5.82028 4.62641 13.3929 9.67457 9.90494 6.18308 numMergedOcc 0
53 mol 210 unq 0 iso 1 dist 8.60412 6.24111 9.07869 8.07523 4.62641 5.82028 13.3929 9.90494 9.67457 6.18308 numMergedOcc 0
54 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 7.56882 5.82028 4.62641 12.3088 9.67457 9.90494 6.18308 numMergedOcc 0
55 mol 210 unq 1 iso 1 dist 7.05535 9.00343 9.07869 7.56882 4.62641 5.82028 12.3088 9.90494 9.67457 6.18308 numMergedOcc 0
56 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 9.94212 18.385 19.0281 11.4946 18.8401 19.381 8.77153 numMergedOcc 0
57 mol 223 unq 0 iso 1 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 11.4946 19.381 18.8401 8.77153 numMergedOcc 0
58 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 9.94212 18.385 19.0281 13.1422 22.2602 21.4312 8.6166 numMergedOcc 0
59 mol 223 unq 1 iso 1 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 13.1422 21.4312 22.2602 8.6166 numMergedOcc 0
60 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 11.4946 18.8401 12.0111 8.77153 numMergedOcc 0
61 mol 223 unq 2 iso 1 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 11.4946 12.0111 18.8401 8.77153 numMergedOcc 0
62 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 13.1422 22.2602 10.6785 8.6166 numMergedOcc 0
63 mol 223 unq 3 iso 1 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 13.1422 10.6785 22.2602 8.6166 numMergedOcc 0
64 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 11.4946 18.8401 9.5211 8.77153 numMergedOcc 0
65 mol 223 unq 4 iso 1 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 11.4946 9.5211 18.8401 8.77153 numMergedOcc 0
66 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 13.1422 22.2602 13.3416 8.6166 numMergedOcc 0
67 mol 223 unq 5 iso 1 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 13.1422 13.3416 22.2602 8.6166 numMergedOcc 0
68 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 11.4946 19.381 12.0111 8.77153 numMergedOcc 0
69 mol 223 unq 2 iso 1 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 11.4946 12.0111 19.381 8.77153 numMergedOcc 0
70 mol 223 unq 3 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 13.1422 21.4312 10.6785 8.6166 numMergedOcc 0
71 mol 223 unq 3 iso 1 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 13.1422 10.6785 21.4312 8.6166 numMergedOcc 0
72 mol 223 unq 4 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 11.4946 19.381 9.5211 8.77153 numMergedOcc 0
73 mol 223 unq 4 iso 1 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 11.4946 9.5211 19.381 8.77153 numMergedOcc 0
74 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 13.1422 21.4312 13.3416 8.6166 numMergedOcc 0
75 mol 223 unq 5 iso 1 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 13.1422 13.3416 21.4312 8.6166 numMergedOcc 0
76 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 11.4946 12.0111 9.5211 8.77153 numMergedOcc 0
77 mol 223 unq 4 iso 1 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 11.4946 9.5211 12.0111 8.77153 numMergedOcc 0
78 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 13.1422 10.6785 13.3416 8.6166 numMergedOcc 0
79 mol 223 unq 5 iso 1 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 13.1422 13.3416 10.6785 8.6166 numMergedOcc 0
80 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 11.7724 14.4547 13.1222 9.40098 numMergedOcc 0
81 mol 224 unq 0 iso 1 dist 9.08719 6.6537 11.6002 7.04127 7.85135 6.46679 11.7724 13.1222 14.4547 9.40098 numMergedOcc 0
82 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 4.55824 9.75313 6.08709 6.61986 numMergedOcc 0
83 mol 224 unq 1 iso 1 dist 9.08719 6.6537 11.6002 7.04127 7.85135 6.46679 4.55824 6.08709 9.75313 6.61986 numMergedOcc 0
84 mol 230 unq 0 iso 0 dist 7.43793 8.4739 5.27013 9.12305 6.87235 9.94041 9.0274 11.1105 14.5397 6.7547 numMergedOcc 0
85 mol 230 unq 0 iso 1 dist 8.4739 7.43793 5.27013 9.12305 9.94041 6.87235 9.0274 14.5397 11.1105 6.7547 numMergedOcc 0
86 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 7.98022 6.62361 5.96552 6.3873 9.31417 5.56719 5.72887 numMergedOcc 0
87 mol 238 unq 0 iso 1 dist 5.33462 6.74214 4.85921 7.98022 5.96552 6.62361 6.3873 5.56719 9.31417 5.72887 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 8.81059 13.8694 9.22664 9.78068 15.2652 8.58088 6.42289 numMergedOcc 0
89 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.78068 8.58088 15.2652 6.42289 numMergedOcc 0
90 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 7.54805 15.4199 12.4903 12.5953 15.5946 17.4584 8.4218 numMergedOcc 0
91 mol 265 unq 0 iso 1 dist 6.5072 9.56472 10.1588 7.54805 12.4903 15.4199 12.5953 17.4584 15.5946 8.4218 numMergedOcc 0
92 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 7.54805 15.4199 5.11366 12.5953 15.5946 12.3211 8.4218 numMergedOcc 0
93 mol 265 unq 1 iso 1 dist 4.03921 9.56472 13.1954 7.54805 5.11366 15.4199 12.5953 12.3211 15.5946 8.4218 numMergedOcc 0
94 mol 265 unq 1 iso 0 dist 6.5072 4.03921 7.82127 7.54805 12.4903 5.11366 12.5953 17.4584 12.3211 8.4218 numMergedOcc 0
95 mol 265 unq 1 iso 1 dist 4.03921 6.5072 7.82127 7.54805 5.11366 12.4903 12.5953 12.3211 17.4584 8.4218 numMergedOcc 0
96 mol 272 unq 0 iso 0 dist 7.50321 9.61597 5.09845 4.78812 5.96981 6.76845 5.27123 12.4617 13.2205 8.33638 numMergedOcc 0
97 mol 272 unq 0 iso 1 dist 9.61597 7.50321 5.09845 4.78812 6.76845 5.96981 5.27123 13.2205 12.4617 8.33638 numMergedOcc 0
98 mol 272 unq 1 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 11.9042 16.9946 15.2989 9.97651 numMergedOcc 0
99 mol 272 unq 1 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 11.9042 15.2989 16.9946 9.97651 numMergedOcc 0
100 mol 272 unq 2 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 5.27123 12.4617 13.2205 8.46116 numMergedOcc 0
101 mol 272 unq 2 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 5.27123 13.2205 12.4617 8.46116 numMergedOcc 0
102 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.21831 6.57235 4.97216 6.11218 7.80446 9.91395 9.10818 numMergedOcc 0
103 mol 274 unq 0 iso 1 dist 7.21004 9.07452 10.3541 6.21831 4.97216 6.57235 6.11218 9.91395 7.80446 9.10818 numMergedOcc 0
104 mol 274 unq 1 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 6.98398 7.80446 9.91395 9.10818 numMergedOcc 0
105 mol 274 unq 1 iso 1 dist 8.75703 6.44266 10.3541 8.3291 4.97216 6.57235 6.98398 9.91395 7.80446 9.10818 numMergedOcc 0
