0 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 7.84393 10.5285 9.84922 7.78708 9.38012 9.55318 8.01051 9.01721 13.1233 13.8602 7.82074 14.2684 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 7.84393 9.84922 10.5285 7.78708 9.55318 9.38012 8.01051 9.01721 13.8602 13.1233 7.82074 14.2684 numMergedOcc 0
2 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 6.58444 11.905 14.8258 5.93252 11.379 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 6.30194 5.44275 5.2774 5.7113 6.58444 14.8258 11.905 5.93252 11.379 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 4.24428 8.04817 9.76331 5.7113 10.5627 6.89722 7.26679 6.19304 11.4799 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 4.24428 9.76331 8.04817 5.7113 10.5627 7.26679 6.89722 6.19304 11.4799 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 6.30194 5.2774 8.0624 5.7113 6.58444 11.905 14.0323 5.93252 11.379 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 6.30194 8.0624 5.2774 5.7113 6.58444 14.0323 11.905 5.93252 11.379 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 4.24428 8.04817 10.4402 5.7113 10.5627 6.89722 10.1503 6.19304 11.4799 numMergedOcc 0
9 mol 73 unq 3 iso 1 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 4.24428 10.4402 8.04817 5.7113 10.5627 10.1503 6.89722 6.19304 11.4799 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 6.30194 5.44275 8.0624 5.7113 6.58444 14.8258 14.0323 5.93252 11.379 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 6.30194 8.0624 5.44275 5.7113 6.58444 14.0323 14.8258 5.93252 11.379 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 4.24428 9.76331 10.4402 5.7113 10.5627 7.26679 10.1503 6.19304 11.4799 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 4.24428 10.4402 9.76331 5.7113 10.5627 10.1503 7.26679 6.19304 11.4799 numMergedOcc 0
14 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 5.06305 10.6919 11.1009 7.79912 8.56639 numMergedOcc 0
15 mol 75 unq 0 iso 1 dist 9.49608 7.89636 5.34579 7.118 9.95193 6.33557 8.24814 5.10798 4.67917 5.64643 5.06305 11.1009 10.6919 7.79912 8.56639 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 7.89636 9.49608 5.34579 8.24814 4.67917 5.10798 7.118 6.33557 9.95193 5.64643 5.06305 10.6919 11.1009 8.56639 7.79912 numMergedOcc 0
17 mol 75 unq 1 iso 1 dist 9.49608 7.89636 5.34579 8.24814 5.10798 4.67917 7.118 9.95193 6.33557 5.64643 5.06305 11.1009 10.6919 8.56639 7.79912 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 8.63522 5.43401 3.9342 9.0361 10.2218 8.17186 7.48277 10.8684 9.76734 9.15076 7.49575 12.8661 9.10229 7.36792 12.0341 numMergedOcc 0
19 mol 102 unq 0 iso 1 dist 5.43401 8.63522 3.9342 9.0361 8.17186 10.2218 7.48277 9.76734 10.8684 9.15076 7.49575 9.10229 12.8661 7.36792 12.0341 numMergedOcc 0
20 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 5.73338 10.7272 8.69888 5.6234 6.57069 numMergedOcc 0
21 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.45659 7.39186 11.0866 5.35493 5.73338 8.69888 10.7272 5.6234 6.57069 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 9.45659 11.0866 7.39186 5.35493 12.753 14.7648 14.9263 9.92231 10.2623 numMergedOcc 0
23 mol 175 unq 1 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.45659 7.39186 11.0866 5.35493 12.753 14.9263 14.7648 9.92231 10.2623 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 9.44856 13.5907 7.05768 9.63234 5.73338 10.7272 8.69888 5.6234 9.7158 numMergedOcc 0
25 mol 175 unq 2 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.44856 7.05768 13.5907 9.63234 5.73338 8.69888 10.7272 5.6234 9.7158 numMergedOcc 0
26 mol 175 unq 3 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 9.44856 13.5907 7.05768 9.63234 12.753 14.7648 14.9263 9.92231 15.8153 numMergedOcc 0
27 mol 175 unq 3 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 9.44856 7.05768 13.5907 9.63234 12.753 14.9263 14.7648 9.92231 15.8153 numMergedOcc 0
28 mol 175 unq 4 iso 0 dist 8.6609 6.21546 6.77498 9.45659 11.0866 7.39186 6.73365 6.15969 5.50014 5.35493 5.73338 10.7272 8.69888 6.57069 5.6234 numMergedOcc 0
29 mol 175 unq 4 iso 1 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 6.73365 5.50014 6.15969 5.35493 5.73338 8.69888 10.7272 6.57069 5.6234 numMergedOcc 0
30 mol 175 unq 5 iso 0 dist 8.6609 6.21546 6.77498 9.45659 11.0866 7.39186 9.44856 13.5907 7.05768 6.80157 5.73338 10.7272 8.69888 6.57069 9.7158 numMergedOcc 0
31 mol 175 unq 5 iso 1 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 9.44856 7.05768 13.5907 6.80157 5.73338 8.69888 10.7272 6.57069 9.7158 numMergedOcc 0
32 mol 175 unq 6 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.45659 11.0866 5.77256 5.35493 5.73338 10.7272 5.08206 5.6234 6.57069 numMergedOcc 0
33 mol 175 unq 6 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.45659 5.77256 11.0866 5.35493 5.73338 5.08206 10.7272 5.6234 6.57069 numMergedOcc 0
34 mol 175 unq 7 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.45659 11.0866 5.77256 5.35493 12.753 14.7648 11.7895 9.92231 10.2623 numMergedOcc 0
35 mol 175 unq 7 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.45659 5.77256 11.0866 5.35493 12.753 11.7895 14.7648 9.92231 10.2623 numMergedOcc 0
36 mol 175 unq 8 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.44856 13.5907 4.96871 9.63234 5.73338 10.7272 5.08206 5.6234 9.7158 numMergedOcc 0
37 mol 175 unq 8 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.44856 4.96871 13.5907 9.63234 5.73338 5.08206 10.7272 5.6234 9.7158 numMergedOcc 0
38 mol 175 unq 9 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 9.44856 13.5907 4.96871 9.63234 12.753 14.7648 11.7895 9.92231 15.8153 numMergedOcc 0
39 mol 175 unq 9 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 9.44856 4.96871 13.5907 9.63234 12.753 11.7895 14.7648 9.92231 15.8153 numMergedOcc 0
40 mol 175 unq 10 iso 0 dist 8.6609 6.03184 12.0951 9.45659 11.0866 5.77256 6.73365 6.15969 7.28617 5.35493 5.73338 10.7272 5.08206 6.57069 5.6234 numMergedOcc 0
41 mol 175 unq 10 iso 1 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 6.73365 7.28617 6.15969 5.35493 5.73338 5.08206 10.7272 6.57069 5.6234 numMergedOcc 0
42 mol 175 unq 11 iso 0 dist 8.6609 6.03184 12.0951 9.45659 11.0866 5.77256 9.44856 13.5907 4.96871 6.80157 5.73338 10.7272 5.08206 6.57069 9.7158 numMergedOcc 0
43 mol 175 unq 11 iso 1 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 9.44856 4.96871 13.5907 6.80157 5.73338 5.08206 10.7272 6.57069 9.7158 numMergedOcc 0
44 mol 175 unq 6 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.45659 7.39186 5.77256 5.35493 5.73338 8.69888 5.08206 5.6234 6.57069 numMergedOcc 0
45 mol 175 unq 6 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.45659 5.77256 7.39186 5.35493 5.73338 5.08206 8.69888 5.6234 6.57069 numMergedOcc 0
46 mol 175 unq 7 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.45659 7.39186 5.77256 5.35493 12.753 14.9263 11.7895 9.92231 10.2623 numMergedOcc 0
47 mol 175 unq 7 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.45659 5.77256 7.39186 5.35493 12.753 11.7895 14.9263 9.92231 10.2623 numMergedOcc 0
48 mol 175 unq 8 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.44856 7.05768 4.96871 9.63234 5.73338 8.69888 5.08206 5.6234 9.7158 numMergedOcc 0
49 mol 175 unq 8 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.44856 4.96871 7.05768 9.63234 5.73338 5.08206 8.69888 5.6234 9.7158 numMergedOcc 0
50 mol 175 unq 9 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 9.44856 7.05768 4.96871 9.63234 12.753 14.9263 11.7895 9.92231 15.8153 numMergedOcc 0
51 mol 175 unq 9 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 9.44856 4.96871 7.05768 9.63234 12.753 11.7895 14.9263 9.92231 15.8153 numMergedOcc 0
52 mol 175 unq 10 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 6.73365 5.50014 7.28617 5.35493 5.73338 8.69888 5.08206 6.57069 5.6234 numMergedOcc 0
53 mol 175 unq 10 iso 1 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 6.73365 7.28617 5.50014 5.35493 5.73338 5.08206 8.69888 6.57069 5.6234 numMergedOcc 0
54 mol 175 unq 11 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 9.44856 7.05768 4.96871 6.80157 5.73338 8.69888 5.08206 6.57069 9.7158 numMergedOcc 0
55 mol 175 unq 11 iso 1 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 9.44856 4.96871 7.05768 6.80157 5.73338 5.08206 8.69888 6.57069 9.7158 numMergedOcc 0
56 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 11.4946 18.8401 19.381 8.77153 13.3071 numMergedOcc 0
57 mol 223 unq 0 iso 1 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 7.34316 11.2364 8.16187 12.3422 11.4946 19.381 18.8401 8.77153 13.3071 numMergedOcc 0
58 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 9.94212 18.385 19.0281 7.34316 8.16187 11.2364 12.3422 13.1422 22.2602 21.4312 8.6166 18.1103 numMergedOcc 0
59 mol 223 unq 1 iso 1 dist 9.14789 9.29204 4.44825 9.94212 19.0281 18.385 7.34316 11.2364 8.16187 12.3422 13.1422 21.4312 22.2602 8.6166 18.1103 numMergedOcc 0
60 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 7.34316 8.16187 11.4951 12.3422 11.4946 18.8401 12.0111 8.77153 13.3071 numMergedOcc 0
61 mol 223 unq 2 iso 1 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 7.34316 11.4951 8.16187 12.3422 11.4946 12.0111 18.8401 8.77153 13.3071 numMergedOcc 0
62 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 9.94212 18.385 4.67731 7.34316 8.16187 11.4951 12.3422 13.1422 22.2602 10.6785 8.6166 18.1103 numMergedOcc 0
63 mol 223 unq 3 iso 1 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 7.34316 11.4951 8.16187 12.3422 13.1422 10.6785 22.2602 8.6166 18.1103 numMergedOcc 0
64 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 7.34316 8.16187 5.18719 12.3422 11.4946 18.8401 9.5211 8.77153 13.3071 numMergedOcc 0
65 mol 223 unq 4 iso 1 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 7.34316 5.18719 8.16187 12.3422 11.4946 9.5211 18.8401 8.77153 13.3071 numMergedOcc 0
66 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 9.94212 18.385 7.19485 7.34316 8.16187 5.18719 12.3422 13.1422 22.2602 13.3416 8.6166 18.1103 numMergedOcc 0
67 mol 223 unq 5 iso 1 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 7.34316 5.18719 8.16187 12.3422 13.1422 13.3416 22.2602 8.6166 18.1103 numMergedOcc 0
68 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 7.34316 11.2364 11.4951 12.3422 11.4946 19.381 12.0111 8.77153 13.3071 numMergedOcc 0
69 mol 223 unq 2 iso 1 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 7.34316 11.4951 11.2364 12.3422 11.4946 12.0111 19.381 8.77153 13.3071 numMergedOcc 0
70 mol 223 unq 3 iso 0 dist 9.14789 7.80764 16.2327 9.94212 19.0281 4.67731 7.34316 11.2364 11.4951 12.3422 13.1422 21.4312 10.6785 8.6166 18.1103 numMergedOcc 0
71 mol 223 unq 3 iso 1 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 7.34316 11.4951 11.2364 12.3422 13.1422 10.6785 21.4312 8.6166 18.1103 numMergedOcc 0
72 mol 223 unq 4 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 7.34316 11.2364 5.18719 12.3422 11.4946 19.381 9.5211 8.77153 13.3071 numMergedOcc 0
73 mol 223 unq 4 iso 1 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 7.34316 5.18719 11.2364 12.3422 11.4946 9.5211 19.381 8.77153 13.3071 numMergedOcc 0
74 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 9.94212 19.0281 7.19485 7.34316 11.2364 5.18719 12.3422 13.1422 21.4312 13.3416 8.6166 18.1103 numMergedOcc 0
75 mol 223 unq 5 iso 1 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 7.34316 5.18719 11.2364 12.3422 13.1422 13.3416 21.4312 8.6166 18.1103 numMergedOcc 0
76 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 7.34316 11.4951 5.18719 12.3422 11.4946 12.0111 9.5211 8.77153 13.3071 numMergedOcc 0
77 mol 223 unq 4 iso 1 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 7.34316 5.18719 11.4951 12.3422 11.4946 9.5211 12.0111 8.77153 13.3071 numMergedOcc 0
78 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 7.34316 11.4951 5.18719 12.3422 13.1422 10.6785 13.3416 8.6166 18.1103 numMergedOcc 0
79 mol 223 unq 5 iso 1 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 7.34316 5.18719 11.4951 12.3422 13.1422 13.3416 10.6785 8.6166 18.1103 numMergedOcc 0
80 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 9.0274 11.1105 14.5397 6.7547 11.5044 numMergedOcc 0
81 mol 230 unq 0 iso 1 dist 8.4739 7.43793 5.27013 9.12305 9.94041 6.87235 9.30906 5.52842 5.4427 5.46301 9.0274 14.5397 11.1105 6.7547 11.5044 numMergedOcc 0
82 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 7.98022 6.62361 5.96552 8.89538 10.4952 7.22173 13.0839 6.3873 9.31417 5.56719 5.72887 10.3007 numMergedOcc 0
83 mol 238 unq 0 iso 1 dist 5.33462 6.74214 4.85921 7.98022 5.96552 6.62361 8.89538 7.22173 10.4952 13.0839 6.3873 5.56719 9.31417 5.72887 10.3007 numMergedOcc 0
84 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 8.81059 13.8694 9.22664 9.67877 5.09738 10.4667 17.2075 9.78068 15.2652 8.58088 6.42289 17.2071 numMergedOcc 0
85 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.67877 10.4667 5.09738 17.2075 9.78068 8.58088 15.2652 6.42289 17.2071 numMergedOcc 0
86 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 9.78068 15.2652 8.58088 6.42289 10.1675 numMergedOcc 0
87 mol 258 unq 1 iso 1 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.12006 13.0489 14.0402 5.30627 9.78068 8.58088 15.2652 6.42289 10.1675 numMergedOcc 0
88 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 5.27123 12.4617 13.2205 8.33638 8.46116 numMergedOcc 0
89 mol 272 unq 0 iso 1 dist 9.61597 7.50321 5.09845 4.78812 6.76845 5.96981 6.62923 5.43733 7.55961 5.40809 5.27123 13.2205 12.4617 8.33638 8.46116 numMergedOcc 0
90 mol 272 unq 1 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 4.78812 5.96981 6.76845 5.40809 11.9042 16.9946 15.2989 9.97651 13.2494 numMergedOcc 0
91 mol 272 unq 1 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 4.78812 6.76845 5.96981 5.40809 11.9042 15.2989 16.9946 9.97651 13.2494 numMergedOcc 0
92 mol 272 unq 2 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 4.78812 5.96981 6.76845 5.40809 5.27123 12.4617 13.2205 8.46116 8.33638 numMergedOcc 0
93 mol 272 unq 2 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 4.78812 6.76845 5.96981 5.40809 5.27123 13.2205 12.4617 8.46116 8.33638 numMergedOcc 0
94 mol 274 unq 0 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 9.79674 9.61244 10.7877 9.12834 6.98398 7.80446 9.91395 9.10818 15.2761 numMergedOcc 0
95 mol 274 unq 0 iso 1 dist 8.75703 6.44266 10.3541 8.3291 4.97216 6.57235 9.79674 10.7877 9.61244 9.12834 6.98398 9.91395 7.80446 9.10818 15.2761 numMergedOcc 0
