0 mol 33 unq 0 iso 0 dist 7.15141 9.06004 8.39877 6.1939 7.00648 12.6778 6.53932 10.0784 7.89306 9.08296 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 7.15141 9.34266 5.85188 6.1939 7.00648 10.6106 6.53932 10.0784 8.36697 9.08296 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 7.06199 8.98545 3.53534 6.56884 7.41857 9.28732 10.2834 8.52254 7.53194 6.79455 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 5.59128 5.02241 12.1135 9.69903 14.3756 6.81735 11.8624 numMergedOcc 0
4 mol 167 unq 0 iso 0 dist 6.64164 9.5648 12.8624 6.90242 8.62646 11.4453 10.2953 15.9047 8.06817 14.9625 numMergedOcc 0
5 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 13.2566 5.90931 9.58537 3.96829 7.7292 6.46946 11.695 numMergedOcc 0
6 mol 249 unq 0 iso 0 dist 6.93507 6.32658 5.57138 5.63238 8.96876 10.5843 8.73111 11.6265 6.62413 12.4097 numMergedOcc 0
7 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 5.63238 8.83735 10.5843 8.73111 14.5656 6.62413 12.4097 numMergedOcc 0
8 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 10.6548 7.19465 15.0416 9.07394 8.53729 6.93942 15.6651 numMergedOcc 0
9 mol 253 unq 1 iso 0 dist 5.76077 8.86676 9.46115 10.6548 7.19465 15.0416 11.6981 8.07341 9.31626 14.0411 numMergedOcc 0
10 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 6.67645 6.34034 9.47153 11.7587 7.54805 6.18698 8.3872 numMergedOcc 0
11 mol 287 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 9.16384 13.6466 9.77996 11.6431 numMergedOcc 0
12 mol 287 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 9.16384 13.6466 9.77996 15.2428 numMergedOcc 0
13 mol 287 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 9.16384 13.6466 6.61308 11.6431 numMergedOcc 0
14 mol 287 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 9.16384 13.6466 6.61308 15.2428 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 9.16384 13.6466 9.77996 11.6431 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 9.16384 13.6466 9.77996 15.2428 numMergedOcc 0
17 mol 288 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 9.16384 13.6466 6.61308 11.6431 numMergedOcc 0
18 mol 288 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 9.16384 13.6466 6.61308 15.2428 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 9.16384 13.6466 9.77996 11.6431 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 9.16384 13.6466 9.77996 15.2428 numMergedOcc 0
21 mol 289 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 9.16384 13.6466 6.61308 11.6431 numMergedOcc 0
22 mol 289 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 9.16384 13.6466 6.61308 15.2428 numMergedOcc 0
