0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.21697 10.9924 6.86951 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 10.1259 12.2342 8.15864 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 10.1259 12.3593 8.15864 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 7.34641 14.2409 7.50258 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 7.8986 9.75299 8.49962 5.76037 7.24183 9.30042 numMergedOcc 0
8 mol 64 unq 4 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 numMergedOcc 0
9 mol 64 unq 5 iso 0 dist 7.24183 9.30042 8.49962 5.76037 7.8986 9.75299 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.92936 9.47045 9.95663 11.7643 12.762 8.07498 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.92936 8.68218 6.87319 11.7643 12.762 7.46419 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 10.0928 12.4201 7.48127 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 12.6473 16.352 8.61089 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 6.69898 10.4317 7.57471 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 5.38943 12.3515 5.62336 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 7.81042 8.078 8.96379 6.73664 13.0426 7.66418 numMergedOcc 0
17 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 4.40288 8.8689 7.12201 numMergedOcc 0
18 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 4.40288 8.80388 6.11833 numMergedOcc 0
19 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 4.40288 9.18139 7.12201 numMergedOcc 0
20 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 4.40288 7.28156 6.11833 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.02969 9.3757 5.44978 10.5302 9.42175 9.42014 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.42175 9.42014 5.44978 10.5302 7.02969 9.3757 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 8.36743 11.9317 8.57909 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 12.1681 7.50126 9.2759 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 9.07294 5.79195 5.35551 9.34083 12.8985 8.76088 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 5.12189 9.2759 10.8516 12.1681 14.2037 5.79195 numMergedOcc 0
27 mol 133 unq 3 iso 0 dist 5.12189 9.2759 10.8516 11.2107 9.428 8.76088 numMergedOcc 0
28 mol 133 unq 4 iso 0 dist 7.50126 9.2759 5.35551 12.1681 9.07294 5.79195 numMergedOcc 0
29 mol 133 unq 5 iso 0 dist 7.50126 9.2759 5.35551 11.2107 12.8985 8.76088 numMergedOcc 0
30 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 8.73614 12.7279 9.13339 numMergedOcc 0
31 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 10.8037 16.0883 8.6953 numMergedOcc 0
32 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 10.8647 16.0617 8.65967 numMergedOcc 0
33 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 11.6064 18.2835 9.8755 numMergedOcc 0
34 mol 165 unq 1 iso 0 dist 8.2197 7.21397 10.5947 8.33453 12.18 8.46714 numMergedOcc 0
35 mol 189 unq 0 iso 0 dist 7.04604 7.54658 4.92169 8.91303 5.11059 9.95686 numMergedOcc 0
36 mol 189 unq 1 iso 0 dist 5.11059 9.95686 4.92169 8.91303 7.04604 7.54658 numMergedOcc 0
37 mol 189 unq 2 iso 0 dist 5.11059 9.47321 8.03657 8.74557 10.0857 6.38294 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 12.1405 14.4096 6.80214 numMergedOcc 0
39 mol 220 unq 1 iso 0 dist 7.35148 6.39087 11.4142 6.99846 13.8218 9.86144 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 5.49559 11.537 9.04741 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 7.58998 6.23677 6.88745 5.92863 12.3857 7.31608 numMergedOcc 0
42 mol 224 unq 2 iso 0 dist 8.71944 8.82663 5.45067 10.9623 11.168 7.96226 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 15.386 21.9904 8.63249 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 7.99748 10.2589 8.26312 numMergedOcc 0
45 mol 245 unq 0 iso 0 dist 7.26913 7.95061 11.8346 15.2703 20.9689 9.5096 numMergedOcc 0
46 mol 245 unq 1 iso 0 dist 6.41862 7.95061 3.53109 15.2703 10.8718 9.5096 numMergedOcc 0
47 mol 245 unq 2 iso 0 dist 8.69377 7.95061 9.71014 15.2703 15.1895 9.5096 numMergedOcc 0
48 mol 245 unq 3 iso 0 dist 8.26223 9.5096 4.20594 15.2703 12.0339 7.95061 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 8.97411 8.58092 13.2474 8.76629 16.4669 7.53199 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 8.97411 8.58092 13.2474 5.64447 11.4777 7.40014 numMergedOcc 0
51 mol 258 unq 2 iso 0 dist 6.08181 7.25618 11.0025 7.64421 13.3732 8.70193 numMergedOcc 0
52 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 7.64421 12.9422 8.70193 numMergedOcc 0
53 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 4.70691 14.3042 6.0437 numMergedOcc 0
54 mol 261 unq 1 iso 0 dist 9.70222 4.85199 10.6318 6.43452 9.71882 9.13604 numMergedOcc 0
55 mol 261 unq 2 iso 0 dist 9.70222 9.72159 4.97878 6.43452 9.71882 6.89731 numMergedOcc 0
56 mol 261 unq 3 iso 0 dist 9.71882 9.13604 10.6318 9.51335 14.3042 6.0437 numMergedOcc 0
57 mol 261 unq 4 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 numMergedOcc 0
58 mol 261 unq 5 iso 0 dist 9.71882 6.89731 4.97878 6.43452 9.70222 9.72159 numMergedOcc 0
59 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 6.70676 13.8394 7.9555 numMergedOcc 0
60 mol 266 unq 1 iso 0 dist 9.63694 6.57444 13.1376 13.1611 21.9878 9.39714 numMergedOcc 0
61 mol 266 unq 2 iso 0 dist 9.63694 7.9555 14.6225 6.70676 11.475 8.8646 numMergedOcc 0
62 mol 266 unq 3 iso 0 dist 6.58277 6.57444 5.91091 13.1611 8.12204 9.39714 numMergedOcc 0
63 mol 266 unq 4 iso 0 dist 6.58277 7.9555 3.93133 6.70676 8.42706 8.8646 numMergedOcc 0
64 mol 266 unq 5 iso 0 dist 8.42706 8.8646 3.93133 6.70676 6.58277 7.9555 numMergedOcc 0
65 mol 266 unq 6 iso 0 dist 8.12204 9.39714 5.91091 13.1611 6.58277 6.57444 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 11.3688 12.4458 8.15119 numMergedOcc 0
67 mol 280 unq 0 iso 0 dist 9.43447 8.83076 9.88995 11.8293 18.3759 9.76967 numMergedOcc 0
68 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.79603 13.2778 6.04225 numMergedOcc 0
69 mol 282 unq 1 iso 0 dist 8.61456 5.00258 9.80233 5.92133 8.41041 8.22117 numMergedOcc 0
70 mol 282 unq 2 iso 0 dist 8.61456 9.98886 4.68809 5.92133 8.41041 6.81887 numMergedOcc 0
71 mol 282 unq 3 iso 0 dist 8.41041 8.22117 9.80233 9.24679 13.2778 6.04225 numMergedOcc 0
72 mol 282 unq 4 iso 0 dist 8.41041 8.22117 9.80233 5.92133 8.61456 5.00258 numMergedOcc 0
73 mol 282 unq 5 iso 0 dist 8.41041 6.81887 4.68809 5.92133 8.61456 9.98886 numMergedOcc 0
74 mol 283 unq 0 iso 0 dist 8.3815 5.71075 4.87508 7.89565 12.6739 9.28067 numMergedOcc 0
75 mol 283 unq 1 iso 0 dist 7.13925 5.71075 7.75306 7.89565 12.7264 9.28067 numMergedOcc 0
76 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 8.71249 12.8233 7.41524 numMergedOcc 0
77 mol 293 unq 1 iso 0 dist 8.8788 4.72125 8.14268 6.3489 8.42712 6.42608 numMergedOcc 0
78 mol 293 unq 2 iso 0 dist 8.42712 6.42608 8.14268 6.3489 8.8788 4.72125 numMergedOcc 0
79 mol 293 unq 3 iso 0 dist 8.42712 6.42608 8.14268 5.34794 12.8233 7.41524 numMergedOcc 0
80 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 8.23817 9.47998 6.37998 numMergedOcc 0
81 mol 294 unq 1 iso 0 dist 9.39625 9.77023 11.4878 8.23817 13.3652 6.37998 numMergedOcc 0
