0 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 6.06561 8.67719 5.46498 5.32694 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 5.66097 5.84479 7.63133 5.32694 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 8.02077 13.4596 8.71745 10.4155 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.88676 7.46752 6.53177 8.02077 13.4596 8.71745 5.66097 5.84479 7.63133 10.4155 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 8.02077 13.4596 8.71745 5.74188 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 7.88676 7.46752 6.53177 8.02077 13.4596 8.71745 6.06561 8.67719 5.46498 5.74188 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 9.54864 8.8058 6.0993 5.09908 11.9912 8.33063 12.5818 11.8302 6.43294 10.1562 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 5.09908 11.9912 8.33063 10.1562 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 5.09908 11.9912 8.33063 10.0675 13.4395 8.7531 7.29309 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 9.54864 8.8058 6.0993 10.0675 13.4395 8.7531 5.09908 11.9912 8.33063 7.29309 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 10.0675 13.4395 8.7531 5.67502 numMergedOcc 0
11 mol 60 unq 1 iso 1 dist 9.54864 8.8058 6.0993 10.0675 13.4395 8.7531 12.5818 11.8302 6.43294 5.67502 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 10.626 14.3405 9.60462 5.27363 13.2326 7.45389 7.05226 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 9.42175 5.81552 9.60908 5.27363 13.2326 7.45389 10.626 14.3405 9.60462 7.05226 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.67341 8.35604 5.39296 5.3967 6.7225 5.11551 11.9798 10.2695 7.11972 6.5838 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 7.67341 8.35604 5.39296 11.9798 10.2695 7.11972 5.3967 6.7225 5.11551 6.5838 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 5.73338 10.7272 5.6234 12.753 14.7648 9.92231 7.42466 numMergedOcc 0
17 mol 175 unq 0 iso 1 dist 8.6609 6.73365 6.15969 12.753 14.7648 9.92231 5.73338 10.7272 5.6234 7.42466 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 12.753 14.9263 9.92231 7.42466 numMergedOcc 0
19 mol 175 unq 1 iso 1 dist 6.21546 6.73365 5.50014 12.753 14.9263 9.92231 5.73338 8.69888 5.6234 7.42466 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 12.753 11.7895 9.92231 7.42466 numMergedOcc 0
21 mol 175 unq 2 iso 1 dist 6.03184 6.73365 7.28617 12.753 11.7895 9.92231 5.73338 5.08206 5.6234 7.42466 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 7.56632 10.9329 9.09754 9.50685 numMergedOcc 0
23 mol 186 unq 0 iso 1 dist 6.43585 6.86297 5.43796 7.56632 10.9329 9.09754 8.03427 12.4816 8.87694 9.50685 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 10.6943 9.8711 9.23153 15.396 12.6756 8.24498 10.5449 numMergedOcc 0
25 mol 220 unq 0 iso 1 dist 7.86207 8.9077 4.90657 15.396 12.6756 8.24498 10.6943 9.8711 9.23153 10.5449 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 11.4946 18.8401 8.77153 13.1422 22.2602 8.6166 8.51421 numMergedOcc 0
27 mol 223 unq 0 iso 1 dist 9.29204 9.94212 18.385 13.1422 22.2602 8.6166 11.4946 18.8401 8.77153 8.51421 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 9.14789 9.94212 19.0281 11.4946 19.381 8.77153 13.1422 21.4312 8.6166 8.51421 numMergedOcc 0
29 mol 223 unq 1 iso 1 dist 9.14789 9.94212 19.0281 13.1422 21.4312 8.6166 11.4946 19.381 8.77153 8.51421 numMergedOcc 0
30 mol 223 unq 2 iso 0 dist 7.80764 9.94212 4.67731 11.4946 12.0111 8.77153 13.1422 10.6785 8.6166 8.51421 numMergedOcc 0
31 mol 223 unq 2 iso 1 dist 7.80764 9.94212 4.67731 13.1422 10.6785 8.6166 11.4946 12.0111 8.77153 8.51421 numMergedOcc 0
32 mol 223 unq 3 iso 0 dist 5.75896 9.94212 7.19485 11.4946 9.5211 8.77153 13.1422 13.3416 8.6166 8.51421 numMergedOcc 0
33 mol 223 unq 3 iso 1 dist 5.75896 9.94212 7.19485 13.1422 13.3416 8.6166 11.4946 9.5211 8.77153 8.51421 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 11.7724 14.4547 9.40098 4.55824 9.75313 6.61986 9.54151 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 11.7724 14.4547 9.40098 9.54151 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 11.7724 13.1222 9.40098 4.55824 6.08709 6.61986 9.54151 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 11.7724 13.1222 9.40098 9.54151 numMergedOcc 0
38 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 10.2117 6.14348 8.40182 4.06055 numMergedOcc 0
39 mol 231 unq 0 iso 1 dist 7.28719 9.98232 5.3251 10.2117 6.14348 8.40182 10.9863 7.79865 7.37839 4.06055 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 5.27568 12.9448 8.35971 7.43758 numMergedOcc 0
41 mol 236 unq 0 iso 1 dist 9.13126 6.73134 6.0258 5.27568 12.9448 8.35971 5.52669 9.10613 8.04248 7.43758 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 12.7595 9.58006 7.88519 4.69778 numMergedOcc 0
43 mol 259 unq 0 iso 1 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 10.908 6.77279 8.13497 4.69778 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 7.50321 6.62923 7.55961 11.9042 16.9946 9.97651 5.27123 12.4617 8.46116 8.12676 numMergedOcc 0
45 mol 272 unq 0 iso 1 dist 7.50321 6.62923 7.55961 5.27123 12.4617 8.46116 11.9042 16.9946 9.97651 8.12676 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 9.61597 6.62923 5.43733 11.9042 15.2989 9.97651 5.27123 13.2205 8.46116 8.12676 numMergedOcc 0
47 mol 272 unq 1 iso 1 dist 9.61597 6.62923 5.43733 5.27123 13.2205 8.46116 11.9042 15.2989 9.97651 8.12676 numMergedOcc 0
48 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 7.38126 15.3786 9.8993 6.39319 13.3495 6.87396 6.88557 numMergedOcc 0
49 mol 276 unq 0 iso 1 dist 8.14494 5.30976 9.95911 6.39319 13.3495 6.87396 7.38126 15.3786 9.8993 6.88557 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 12.0417 11.1402 6.53701 7.26698 8.85762 6.0664 5.51836 numMergedOcc 0
51 mol 280 unq 0 iso 1 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 12.0417 11.1402 6.53701 5.51836 numMergedOcc 0
