0 mol 1 unq 0 iso 0 dist 9.40771 6.13271 6.86701 14.0486 7.27254 12.7486 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.7275 9.02078 6.86701 9.80295 7.27254 12.7486 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.22014 10.212 7.27472 7.12394 7.96195 10.0655 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.06898 10.6266 6.24711 11.2894 9.58596 14.0576 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 7.06277 4.4691 8.40422 9.1427 6.65534 8.79802 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 7.06277 5.38419 8.40425 9.1427 6.65534 5.88324 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 7.06277 6.529 7.47974 9.1427 6.65534 6.52312 numMergedOcc 0
7 mol 89 unq 3 iso 0 dist 7.06277 8.3977 5.51831 9.1427 6.65534 6.60299 numMergedOcc 0
8 mol 89 unq 4 iso 0 dist 7.06277 9.83986 9.65149 9.1427 6.65534 6.30713 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.61144 14.8146 9.36001 7.76627 6.98037 7.24315 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.13521 4.78289 7.06939 7.76627 6.9223 6.08245 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 6.13521 4.78289 7.06939 10.0556 7.0561 6.86728 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 5.46186 10.2851 9.22631 3.74136 5.71763 9.57225 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.2594 7.27506 14.484 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 6.85756 7.27506 14.484 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.44426 9.04817 5.10496 10.2492 8.75597 7.32662 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.44426 9.04817 5.10496 11.6279 9.18457 12.3881 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.44426 4.70157 5.92242 10.2492 8.75597 13.4985 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.44426 4.70157 5.92242 11.6279 9.18457 7.89505 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 5.44426 6.21302 5.2571 10.2492 8.75597 6.934 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 5.44426 6.21302 5.2571 11.6279 9.18457 13.1975 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 5.44426 11.2075 8.7497 10.2492 8.75597 7.17433 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 5.44426 11.2075 8.7497 11.6279 9.18457 15.9953 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 8.65429 8.35877 9.64383 12.6299 6.83746 8.76845 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 8.65429 8.35877 9.64383 16.0106 9.14707 11.7715 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 8.65429 9.9123 7.54889 12.6299 6.83746 13.9572 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 8.65429 9.9123 7.54889 16.0106 9.14707 13.1975 numMergedOcc 0
27 mol 98 unq 12 iso 0 dist 8.65429 8.49566 7.78931 12.6299 6.83746 14.5341 numMergedOcc 0
28 mol 98 unq 13 iso 0 dist 8.65429 8.49566 7.78931 16.0106 9.14707 15.9953 numMergedOcc 0
29 mol 105 unq 0 iso 0 dist 9.84347 8.40852 9.16718 12.571 7.44838 7.33596 numMergedOcc 0
30 mol 105 unq 1 iso 0 dist 9.84347 4.7574 7.94633 12.571 7.44838 8.22667 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 13.8319 5.11043 9.4027 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.8564 14.9183 8.69531 13.8319 5.11043 5.12325 numMergedOcc 0
33 mol 178 unq 0 iso 0 dist 5.4647 6.96904 7.06025 6.72936 8.25282 10.1489 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 8.28282 11.3614 7.2793 6.63507 8.31881 6.87725 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 5.81317 5.69131 7.94911 6.66171 9.62911 12.2697 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 7.9002 10.0712 8.1945 16.1718 9.57955 17.0241 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 7.9002 10.0712 8.1945 8.96094 9.87668 16.6392 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 7.9002 6.7444 6.50998 16.1718 9.57955 10.6484 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 7.9002 6.7444 6.50998 8.96094 9.87668 4.76151 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 7.38159 9.11454 11.5211 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 9.42801 10.8094 5.1823 7.38159 9.11454 6.65703 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 6.66615 5.2836 5.90924 5.50333 7.14086 4.48907 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 6.66615 4.53426 5.90058 5.50333 7.14086 9.09085 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 6.66615 13.628 9.58916 5.50333 7.14086 10.1591 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 7.05843 6.95085 6.31969 7.43418 5.4307 5.9476 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 9.13412 14.0055 9.46442 6.13368 9.2558 9.84292 numMergedOcc 0
