0 mol 16 unq 0 iso 0 dist 8.62634 10.0664 8.17898 16.8308 12.0005 7.03948 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.71324 7.70414 9.10915 11.6368 12.9814 8.68586 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.5663 7.70414 5.54343 11.6368 5.68492 8.68586 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.70037 4.59504 8.24121 8.71627 6.51655 7.04352 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.70037 4.59504 8.24121 10.9839 15.9496 8.1114 numMergedOcc 0
5 mol 69 unq 2 iso 0 dist 7.96207 15.5565 8.24121 14.06 6.51655 7.04352 numMergedOcc 0
6 mol 69 unq 3 iso 0 dist 7.96207 15.5565 8.24121 22.6853 15.9496 8.1114 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 8.21588 7.2527 9.1329 13.4901 11.1364 7.51358 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 8.21588 7.2527 9.1329 14.0019 16.0648 8.93296 numMergedOcc 0
9 mol 87 unq 2 iso 0 dist 8.21588 12.2598 9.03114 13.4901 11.1364 8.32298 numMergedOcc 0
10 mol 87 unq 3 iso 0 dist 6.62798 7.2527 5.26938 13.4901 7.62644 7.51358 numMergedOcc 0
11 mol 87 unq 4 iso 0 dist 6.62798 7.2527 5.26938 14.0019 10.8096 8.93296 numMergedOcc 0
12 mol 87 unq 5 iso 0 dist 6.62798 12.2598 8.91602 13.4901 7.62644 8.32298 numMergedOcc 0
13 mol 87 unq 6 iso 0 dist 8.15104 8.89893 9.1329 12.9428 11.1364 7.51358 numMergedOcc 0
14 mol 87 unq 7 iso 0 dist 8.15104 8.89893 9.1329 17.5693 16.0648 8.93296 numMergedOcc 0
15 mol 87 unq 8 iso 0 dist 8.15104 5.64484 9.03114 12.9428 11.1364 8.32298 numMergedOcc 0
16 mol 87 unq 9 iso 0 dist 9.94718 8.89893 5.26938 12.9428 7.62644 7.51358 numMergedOcc 0
17 mol 87 unq 10 iso 0 dist 9.94718 8.89893 5.26938 17.5693 10.8096 8.93296 numMergedOcc 0
18 mol 87 unq 11 iso 0 dist 9.94718 5.64484 8.91602 12.9428 7.62644 8.32298 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.79014 5.23924 5.97879 9.92286 5.84883 6.73814 numMergedOcc 0
20 mol 124 unq 0 iso 0 dist 8.55572 9.70366 7.23052 15.488 10.5562 6.83051 numMergedOcc 0
21 mol 124 unq 1 iso 0 dist 8.55572 9.70366 7.23052 18.5779 12.5603 9.28376 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.24204 5.21119 5.67862 10.3606 6.30187 5.42582 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 9.24204 7.45628 7.97208 10.3606 6.30187 8.6355 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 7.01323 9.80923 8.36882 15.5201 13.9771 8.19104 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.10839 4.9475 8.90592 7.13287 4.85796 7.7056 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 7.58683 9.28974 9.18691 10.2277 9.53126 7.7056 numMergedOcc 0
27 mol 155 unq 0 iso 0 dist 6.1274 9.26984 8.66709 9.47305 7.00069 7.39644 numMergedOcc 0
28 mol 155 unq 1 iso 0 dist 6.1274 9.26984 8.66709 16.1413 14.2312 7.70572 numMergedOcc 0
29 mol 189 unq 0 iso 0 dist 8.01521 5.56399 8.57361 5.79707 8.33972 6.50241 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.55389 10.1816 7.7292 12.4744 11.695 5.90931 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 5.60195 12.0174 8.9077 14.2798 10.4277 6.84247 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 5.60195 12.0174 8.9077 16.6467 12.6281 6.99002 numMergedOcc 0
33 mol 220 unq 2 iso 0 dist 7.87359 9.89208 8.9077 13.8879 10.4277 6.84247 numMergedOcc 0
34 mol 220 unq 3 iso 0 dist 7.87359 9.89208 8.9077 14.9077 12.6281 6.99002 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 8.76741 7.39364 6.095 6.06804 5.17887 5.86443 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 8.76741 7.39364 6.095 11.4952 5.52229 7.22914 numMergedOcc 0
37 mol 240 unq 0 iso 0 dist 7.84314 12.2549 6.83069 16.976 10.6805 6.15305 numMergedOcc 0
38 mol 240 unq 1 iso 0 dist 7.84314 12.2549 6.83069 12.8782 5.79056 8.0951 numMergedOcc 0
39 mol 240 unq 2 iso 0 dist 7.84314 12.5785 9.30995 16.976 10.6805 7.03489 numMergedOcc 0
40 mol 247 unq 0 iso 0 dist 8.98313 8.8422 7.29178 11.6095 4.15871 6.6838 numMergedOcc 0
41 mol 250 unq 0 iso 0 dist 5.97672 6.15778 8.21206 13.2788 11.1994 8.80086 numMergedOcc 0
