0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.71584 6.10339 10.8897 10.1278 4.44441 10.0411 8.96634 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 9.71584 6.10339 14.9801 10.1278 4.44441 10.9814 8.96634 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.51865 6.864 7.67038 4.13497 6.10339 10.8897 7.7312 4.44441 10.0411 8.96634 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 16.3188 13.2846 13.7992 7.18124 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 12.0986 12.3897 8.92779 6.47026 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 11.8198 4.69674 10.2718 14.6356 4.7874 10.3016 6.48394 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 12.1279 13.3089 16.2205 9.43843 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 9.90583 10.3737 8.37717 7.67463 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 14.5106 13.3089 16.2205 9.43843 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 15.0494 10.3737 8.37717 7.67463 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 11.3211 8.77199 13.821 14.5106 13.3089 15.087 9.43843 numMergedOcc 0
11 mol 85 unq 5 iso 0 dist 7.47541 5.73196 6.87425 11.3211 8.77199 13.821 15.0494 10.3737 17.0152 7.67463 numMergedOcc 0
12 mol 85 unq 6 iso 0 dist 6.19965 7.97049 5.42586 5.46695 8.81824 8.77199 12.1279 16.2205 13.3089 9.43843 numMergedOcc 0
13 mol 85 unq 7 iso 0 dist 6.19965 7.97049 5.42586 5.46695 8.81824 8.77199 9.90583 8.37717 10.3737 7.67463 numMergedOcc 0
14 mol 85 unq 8 iso 0 dist 7.66905 7.47541 5.42586 11.3211 8.81824 8.77199 14.5106 16.2205 13.3089 9.43843 numMergedOcc 0
15 mol 85 unq 9 iso 0 dist 7.66905 7.47541 5.42586 11.3211 8.81824 8.77199 15.0494 8.37717 10.3737 7.67463 numMergedOcc 0
16 mol 85 unq 10 iso 0 dist 7.66905 5.73196 10.1164 11.3211 8.81824 13.821 14.5106 16.2205 15.087 9.43843 numMergedOcc 0
17 mol 85 unq 11 iso 0 dist 7.66905 5.73196 10.1164 11.3211 8.81824 13.821 15.0494 8.37717 17.0152 7.67463 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.2658 9.01083 5.53837 7.85262 8.82395 11.1905 15.3331 11.8395 15.6518 9.36638 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 11.0573 4.23405 9.19646 9.24005 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 11.0573 4.23405 9.19646 7.88846 numMergedOcc 0
21 mol 120 unq 0 iso 0 dist 6.44653 8.75408 5.23036 4.98499 8.1671 12.259 6.42623 3.824 5.6295 9.43682 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 6.44653 8.75408 5.23036 4.98499 8.1671 12.259 8.95899 4.96885 8.97962 8.0564 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 8.18329 8.86966 5.7527 7.59457 4.73288 4.70284 7.78215 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 8.18329 5.7527 8.86966 7.59457 4.70284 4.73288 7.78215 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 5.97115 8.86966 13.4958 9.00072 4.73288 12.2243 7.78215 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 5.97115 8.86966 5.7527 9.00072 4.73288 4.70284 7.78215 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 7.16148 8.56324 10.6875 5.97115 5.7527 13.4958 9.00072 4.70284 12.2243 7.78215 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 7.16148 6.70283 5.49936 5.97115 5.7527 8.86966 9.00072 4.70284 4.73288 7.78215 numMergedOcc 0
29 mol 152 unq 6 iso 0 dist 8.67331 8.05741 5.49936 4.36394 8.86966 5.7527 7.55419 4.73288 4.70284 7.78215 numMergedOcc 0
30 mol 152 unq 7 iso 0 dist 8.05741 8.67331 5.49936 4.36394 5.7527 8.86966 7.55419 4.70284 4.73288 7.78215 numMergedOcc 0
31 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.43082 8.4173 9.70181 4.72821 4.69387 3.70233 6.53017 numMergedOcc 0
32 mol 178 unq 1 iso 0 dist 6.69288 6.43573 5.34677 4.43082 8.4173 9.70181 10.5218 13.6551 12.2429 8.83695 numMergedOcc 0
33 mol 178 unq 2 iso 0 dist 6.69288 7.17202 11.7381 4.43082 8.4173 6.55543 4.72821 4.69387 7.39705 6.53017 numMergedOcc 0
34 mol 178 unq 3 iso 0 dist 6.69288 7.17202 11.7381 4.43082 8.4173 6.55543 10.5218 13.6551 4.02132 8.83695 numMergedOcc 0
35 mol 178 unq 4 iso 0 dist 6.69288 8.81551 14.0703 4.43082 8.4173 10.2965 4.72821 4.69387 9.77268 6.53017 numMergedOcc 0
36 mol 178 unq 5 iso 0 dist 6.69288 8.81551 14.0703 4.43082 8.4173 10.2965 10.5218 13.6551 8.23874 8.83695 numMergedOcc 0
37 mol 178 unq 6 iso 0 dist 7.17202 6.69288 11.7381 4.43082 6.55543 8.4173 4.72821 7.39705 4.69387 6.53017 numMergedOcc 0
38 mol 178 unq 7 iso 0 dist 7.17202 6.69288 11.7381 4.43082 6.55543 8.4173 10.5218 4.02132 13.6551 8.83695 numMergedOcc 0
39 mol 178 unq 8 iso 0 dist 7.17202 6.43573 9.89739 4.43082 6.55543 9.70181 4.72821 7.39705 3.70233 6.53017 numMergedOcc 0
40 mol 178 unq 9 iso 0 dist 7.17202 6.43573 9.89739 4.43082 6.55543 9.70181 10.5218 4.02132 12.2429 8.83695 numMergedOcc 0
41 mol 178 unq 10 iso 0 dist 7.17202 8.81551 5.18005 4.43082 6.55543 10.2965 4.72821 7.39705 9.77268 6.53017 numMergedOcc 0
42 mol 178 unq 11 iso 0 dist 7.17202 8.81551 5.18005 4.43082 6.55543 10.2965 10.5218 4.02132 8.23874 8.83695 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 8.77621 9.73419 6.11803 11.1153 4.46135 3.56132 9.24832 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 9.774 7.7366 5.63422 8.77621 6.11803 9.73419 11.1153 3.56132 4.46135 9.24832 numMergedOcc 0
45 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 6.58152 7.31553 10.1674 7.3268 6.63423 10.3815 5.45266 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 6.56535 7.48298 14.2794 10.5406 7.63636 17.0778 9.84342 numMergedOcc 0
47 mol 252 unq 1 iso 0 dist 7.19638 8.33025 14.9102 6.56535 7.48298 14.2794 12.9602 9.93981 20.6661 8.63893 numMergedOcc 0
48 mol 252 unq 2 iso 0 dist 7.19638 8.33025 14.9102 4.51829 8.9483 10.8005 10.5406 7.63636 17.0778 9.85159 numMergedOcc 0
49 mol 252 unq 3 iso 0 dist 7.19638 9.2288 11.7918 6.56535 7.48298 15.4631 10.5406 7.63636 15.4111 9.84342 numMergedOcc 0
50 mol 252 unq 4 iso 0 dist 7.19638 9.2288 11.7918 6.56535 7.48298 15.4631 12.9602 9.93981 19.6445 8.63893 numMergedOcc 0
51 mol 252 unq 5 iso 0 dist 7.19638 9.2288 11.7918 4.51829 8.9483 13.4944 10.5406 7.63636 15.4111 9.85159 numMergedOcc 0
52 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 15.4874 9.00426 14.9571 18.8601 11.1348 17.9182 7.8647 numMergedOcc 0
