0 mol 5 unq 0 iso 0 dist 6.84403 12.3662 9.45559 6.46777 7.64769 8.41594 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 12.3662 9.45559 3.82801 8.31759 12.663 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.76233 7.08799 9.74528 11.8533 6.83186 15.0022 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.00338 4.80937 6.80828 4.45723 9.2087 4.52631 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.61831 8.53213 5.91098 5.5308 7.66068 11.6853 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.61831 8.53213 5.91098 10.5881 9.5043 15.0489 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 5.61831 8.53213 5.91098 9.74852 8.34132 14.2393 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 5.61831 5.28721 4.86523 5.5308 7.66068 4.94673 numMergedOcc 0
8 mol 76 unq 4 iso 0 dist 5.61831 5.28721 4.86523 10.5881 9.5043 5.78236 numMergedOcc 0
9 mol 76 unq 5 iso 0 dist 5.61831 5.28721 4.86523 9.74852 8.34132 4.73151 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.75749 10.8383 7.69755 8.85486 7.50925 4.12785 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 9.75749 10.8383 7.69755 5.2891 6.96722 6.83349 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 9.75749 13.8436 9.64197 8.85486 7.50925 9.58199 numMergedOcc 0
13 mol 83 unq 3 iso 0 dist 9.75749 13.8436 9.64197 5.2891 6.96722 8.6522 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.61514 5.55433 7.51319 10.8634 6.67137 6.90443 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.61514 5.55433 7.51319 15.0522 9.78707 17.0873 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 7.61514 15.3673 9.43839 10.8634 6.67137 14.6513 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 7.61514 15.3673 9.43839 15.0522 9.78707 4.43737 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 8.21116 15.6112 8.66427 13.6965 7.07839 5.26904 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 8.21116 15.6112 8.66427 12.6759 7.91193 6.77316 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 8.21116 15.6112 8.66427 10.513 9.09711 11.9441 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 8.21116 15.6112 8.66427 10.8634 7.04244 13.8217 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 8.21116 15.6112 8.66427 15.0522 9.63449 9.54731 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 8.21116 5.55433 8.49887 13.6965 7.07839 13.5026 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 8.21116 5.55433 8.49887 10.513 9.09711 10.1386 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 8.21116 5.55433 8.49887 12.6759 7.91193 13.1772 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 8.21116 5.55433 8.49887 10.8634 7.04244 6.90443 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 8.21116 5.55433 8.49887 15.0522 9.63449 17.0873 numMergedOcc 0
28 mol 107 unq 0 iso 0 dist 4.99934 11.7698 7.2168 10.9097 8.88124 8.41816 numMergedOcc 0
29 mol 107 unq 1 iso 0 dist 4.99934 11.7698 7.2168 4.34186 8.19484 15.3177 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 6.91039 15.9297 9.99012 4.62104 4.3855 11.9534 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 6.91039 4.14823 5.33772 4.62104 4.3855 5.08025 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 7.82717 8.15466 6.97766 4.32488 4.87942 5.86994 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.19926 8.15466 4.79423 4.32488 7.25595 5.86994 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.19926 8.15466 4.79423 12.1543 9.94825 8.74892 numMergedOcc 0
35 mol 193 unq 0 iso 0 dist 9.28442 16.2737 9.13587 6.06113 8.30069 16.5276 numMergedOcc 0
36 mol 193 unq 1 iso 0 dist 9.28442 16.2737 9.13587 3.45561 8.83551 15.3446 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 9.3032 11.9253 7.56217 12.2934 5.10542 11.7008 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 8.10451 9.14049 7.56217 11.2635 5.10542 11.7008 numMergedOcc 0
39 mol 194 unq 2 iso 0 dist 6.6747 9.14049 9.81055 11.2635 4.68722 11.7008 numMergedOcc 0
40 mol 194 unq 3 iso 0 dist 6.6747 9.14049 9.81055 10.5989 5.18325 14.7138 numMergedOcc 0
41 mol 194 unq 4 iso 0 dist 6.28412 15.4443 9.81055 5.18799 4.68722 11.7008 numMergedOcc 0
42 mol 194 unq 5 iso 0 dist 6.28412 15.4443 9.81055 4.45047 5.18325 14.7138 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 6.15671 5.61312 7.78392 8.58432 9.54529 13.4414 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 7.36685 13.3047 7.36137 7.98379 7.8598 12.2408 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 7.36685 13.3047 7.36137 4.58167 8.25286 13.1028 numMergedOcc 0
46 mol 266 unq 2 iso 0 dist 7.36685 5.66268 6.83784 7.98379 7.8598 5.34431 numMergedOcc 0
47 mol 266 unq 3 iso 0 dist 7.36685 5.66268 6.83784 4.58167 8.25286 8.39575 numMergedOcc 0
48 mol 266 unq 4 iso 0 dist 9.20906 9.22203 4.95415 10.0526 7.80711 12.2408 numMergedOcc 0
49 mol 266 unq 5 iso 0 dist 9.20906 9.22203 4.95415 16.8584 9.9965 13.1028 numMergedOcc 0
50 mol 266 unq 6 iso 0 dist 9.20906 9.32644 6.38519 10.0526 7.80711 5.34431 numMergedOcc 0
51 mol 266 unq 7 iso 0 dist 9.20906 9.32644 6.38519 16.8584 9.9965 8.39575 numMergedOcc 0
52 mol 266 unq 8 iso 0 dist 9.03099 13.3047 4.95415 7.98379 7.80711 12.2408 numMergedOcc 0
53 mol 266 unq 9 iso 0 dist 9.03099 13.3047 4.95415 4.58167 9.9965 13.1028 numMergedOcc 0
54 mol 266 unq 10 iso 0 dist 9.03099 5.66268 6.38519 7.98379 7.80711 5.34431 numMergedOcc 0
55 mol 266 unq 11 iso 0 dist 9.03099 5.66268 6.38519 4.58167 9.9965 8.39575 numMergedOcc 0
56 mol 284 unq 0 iso 0 dist 5.06373 10.1082 8.2236 4.16786 5.6964 8.4652 numMergedOcc 0
