0 mol 11 unq 0 iso 0 dist 6.09937 5.25951 9.08736 4.73237 8.68293 7.86896 6.89666 7.28643 9.23212 4.61088 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 10.5382 9.74528 5.8961 6.84216 7.86896 10.2486 9.68636 9.23212 4.61088 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.4515 13.3961 7.02693 3.97569 6.23522 10.8067 10.7935 3.85805 4.24428 8.9232 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.4515 13.3961 7.02693 3.97569 6.23522 10.8067 13.2659 5.17781 6.30194 10.2049 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.4515 13.3961 7.02693 12.4903 9.10566 6.58444 10.7935 3.85805 4.24428 5.93252 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.4515 13.3961 7.02693 12.4903 9.10566 6.58444 13.2659 5.17781 6.30194 11.379 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.4515 13.3961 7.02693 5.99117 9.62027 15.7508 10.7935 3.85805 4.24428 13.2207 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.4515 13.3961 7.02693 5.99117 9.62027 15.7508 13.2659 5.17781 6.30194 13.1757 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 8.4515 9.15529 8.58248 3.97569 6.23522 7.9573 11.3877 4.73407 7.01889 9.38498 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 8.4515 9.15529 8.58248 12.4903 9.10566 17.249 11.3877 4.73407 7.01889 13.1662 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 8.4515 9.15529 8.58248 5.99117 9.62027 4.6248 11.3877 4.73407 7.01889 10.2282 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.46582 4.00834 5.91098 8.78063 7.61521 10.2219 6.4551 3.69293 4.83274 6.97941 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 6.46582 9.6911 4.86523 8.78063 7.61521 7.74851 6.4551 3.69293 7.89214 6.97941 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.40699 5.53481 5.6516 12.0948 7.74064 6.63027 10.1253 6.27514 7.76275 10.3436 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.23055 6.56343 6.34669 4.56886 4.17838 5.60777 12.2317 9.85862 6.30103 10.2618 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.30746 9.1793 6.34669 5.1219 4.17838 5.60777 14.8214 9.85862 6.30103 10.2618 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 7.74924 10.0189 9.02905 5.77535 7.51733 4.33346 11.5827 4.73066 8.26838 9.03572 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 7.74924 10.0189 9.02905 9.35848 9.01607 7.47119 11.5827 4.73066 8.26838 8.83255 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 6.80798 6.25432 4.821 4.42285 4.42563 6.28781 12.1617 8.5619 9.69673 12.2929 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.93485 11.2438 8.83628 4.2475 9.31158 14.3203 12.1752 4.69695 6.57849 13.4269 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 5.66636 7.47443 8.83628 6.8901 9.31158 14.3203 8.10287 4.69695 6.57849 13.4269 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.68612 17.6762 9.46274 5.67031 9.06459 14.5108 10.961 4.15355 9.4835 8.82096 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.71119 9.53082 6.3093 11.8779 9.19385 4.84708 9.1566 5.85692 7.80525 7.32223 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 8.71119 9.53082 6.3093 11.8779 9.19385 4.84708 14.0212 6.0222 7.71295 8.31064 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 8.71119 9.53082 6.3093 15.4152 9.1927 6.27022 9.1566 5.85692 7.80525 11.6434 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 8.71119 9.53082 6.3093 15.4152 9.1927 6.27022 14.0212 6.0222 7.71295 6.73034 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.25703 9.65468 8.67957 10.6892 8.12739 7.23876 16.805 10.7853 9.81087 12.8531 numMergedOcc 0
