0 mol 19 unq 0 iso 0 dist 7.82528 7.97324 13.3417 10.0411 6.38574 17.543 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 4.73407 7.78587 12.8985 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 4.65521 9.79143 13.2106 5.17781 7.78587 12.8985 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 5.15851 7.16975 6.23298 4.74027 7.30467 10.7206 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 8.59981 5.72373 4.98036 14.8455 9.70065 13.5953 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 7.66331 7.20988 4.98036 14.6454 9.70065 13.5953 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 8.99696 8.02386 5.93544 11.9685 9.77656 7.84561 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 8.99696 8.02386 5.93544 16.9912 9.6071 12.1378 numMergedOcc 0
8 mol 197 unq 2 iso 0 dist 8.99696 6.6259 9.85132 11.9685 9.77656 16.9933 numMergedOcc 0
9 mol 197 unq 3 iso 0 dist 8.99696 6.6259 9.85132 16.9912 9.6071 19.2398 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 6.0965 8.29133 10.4683 4.67313 6.8984 6.72477 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 9.59129 8.29133 8.3461 4.67313 7.77553 6.72477 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 6.25105 7.72403 6.81789 13.8525 7.91374 10.3432 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 9.5707 6.35438 10.0213 12.7879 5.69634 10.3432 numMergedOcc 0
14 mol 234 unq 2 iso 0 dist 7.85175 6.35438 6.81789 12.7879 7.91374 10.3432 numMergedOcc 0
15 mol 234 unq 3 iso 0 dist 9.39181 9.07916 4.86801 11.1346 6.81195 11.1035 numMergedOcc 0
16 mol 234 unq 4 iso 0 dist 9.39181 9.57132 5.16504 11.1346 6.81195 10.3432 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.20082 6.09177 9.2906 8.19606 9.82674 13.7769 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 7.20082 7.18198 4.76769 8.19606 9.82674 12.7994 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 5.24676 9.72168 9.71947 6.73995 5.85613 13.7048 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 6.65799 9.28024 12.4441 numMergedOcc 0
