0 mol 69 unq 0 iso 0 dist 9.2309 8.71627 4.68683 4.59504 9.74996 7.04352 8.3355 7.78321 9.70189 11.1718 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 8.32077 6.64613 10.6036 4.7907 10.2469 8.3586 9.50524 16.7647 7.38914 10.0455 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 7.87576 9.6785 6.45112 9.04668 11.293 6.96442 14.2288 14.8692 8.87941 5.37729 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.07957 9.59094 9.65497 11.0811 13.0521 7.92688 15.9809 19.2664 9.94276 11.8989 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.07957 9.59094 9.65497 11.0811 13.0521 7.92688 16.8354 17.5504 9.05357 15.0734 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 8.07957 9.59094 9.65497 11.0811 13.0521 7.92688 9.0998 13.2891 5.99299 9.58627 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.69499 9.7944 5.36419 10.2481 11.7961 6.95323 6.60552 7.79467 5.63811 6.69673 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 9.69499 9.7944 5.36419 10.2481 11.7961 6.95323 11.7922 11.7363 7.49546 5.58533 numMergedOcc 0
8 mol 140 unq 2 iso 0 dist 9.69499 9.7944 5.36419 7.49203 9.93572 7.27371 6.60552 7.79467 5.63811 8.17877 numMergedOcc 0
9 mol 140 unq 3 iso 0 dist 9.69499 9.7944 5.36419 7.49203 9.93572 7.27371 11.7922 11.7363 7.49546 4.6872 numMergedOcc 0
10 mol 228 unq 0 iso 0 dist 9.74392 9.79291 13.9262 11.2222 17.8697 9.06121 6.50793 13.8008 7.09766 4.75417 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 6.35728 7.54327 9.90298 5.28657 5.00515 6.16063 9.68695 10.435 8.49841 5.9221 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 9.46142 8.91763 9.95362 12.0885 17.137 7.67322 14.6519 14.8944 6.5772 8.82861 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.53411 9.3099 6.85541 11.1632 12.2928 9.90142 16.0659 14.8944 8.70193 15.7973 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 6.53411 9.3099 6.85541 11.0996 11.0733 5.9216 16.0659 14.8944 8.70193 10.438 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 9.97011 6.27189 9.40847 9.92738 14.5402 7.67853 5.34124 11.1106 6.75716 5.7074 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 8.88613 8.8896 13.6692 7.62102 10.3428 6.50589 11.6682 15.4875 8.49866 5.31116 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 9.91042 7.86196 7.47947 9.62211 14.5766 9.03492 12.784 12.9052 7.72845 6.46298 numMergedOcc 0
