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1 mol 7 unq 0 iso 1 dist 8.02892 7.39982 9.68596 5.38502 6.7985 9.0379 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.0266 5.31774 7.47858 6.25083 6.62144 10.6922 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.0266 6.25083 6.62144 5.31774 7.47858 10.6922 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 7.93303 9.12854 12.3067 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.65191 7.93303 9.12854 12.8297 8.70827 12.3067 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 5.0289 7.23884 7.51619 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 4.94406 5.0289 7.23884 6.83826 5.78706 7.51619 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.94406 6.83826 5.78706 9.94628 5.59328 10.6225 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 6.83826 5.78706 10.6225 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.94406 6.83826 5.78706 7.53156 7.5242 12.7411 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 6.83826 5.78706 12.7411 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 9.94628 5.59328 11.4338 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 5.0289 7.23884 11.4338 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.94406 5.0289 7.23884 7.53156 7.5242 9.30161 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 5.0289 7.23884 9.30161 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 7.53156 7.5242 7.72877 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 9.94628 5.59328 7.72877 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 7.2337 9.30656 5.78706 12.1337 7.23884 7.51619 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 7.2337 12.1337 7.23884 9.30656 5.78706 7.51619 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 5.39087 5.59328 10.6225 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 9.30656 5.78706 10.6225 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.2337 9.30656 5.78706 12.2431 7.5242 12.7411 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 9.30656 5.78706 12.7411 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 7.2337 12.1337 7.23884 5.39087 5.59328 11.4338 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 12.1337 7.23884 11.4338 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 12.2431 7.5242 9.30161 numMergedOcc 0
27 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 12.1337 7.23884 9.30161 numMergedOcc 0
28 mol 98 unq 5 iso 0 dist 7.2337 5.39087 5.59328 12.2431 7.5242 7.72877 numMergedOcc 0
29 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 5.39087 5.59328 7.72877 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 10.9755 7.10378 10.8586 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 9.1593 10.9755 7.10378 12.3004 7.80975 10.8586 numMergedOcc 0
32 mol 125 unq 0 iso 0 dist 9.2657 9.67381 9.08382 9.19339 9.3778 5.20403 numMergedOcc 0
33 mol 125 unq 0 iso 1 dist 9.2657 9.19339 9.3778 9.67381 9.08382 5.20403 numMergedOcc 0
34 mol 125 unq 1 iso 0 dist 9.2657 9.67381 9.08382 6.92879 7.47069 9.34412 numMergedOcc 0
35 mol 125 unq 1 iso 1 dist 9.2657 6.92879 7.47069 9.67381 9.08382 9.34412 numMergedOcc 0
36 mol 125 unq 1 iso 0 dist 9.2657 9.19339 9.3778 6.92879 7.47069 11.8325 numMergedOcc 0
37 mol 125 unq 1 iso 1 dist 9.2657 6.92879 7.47069 9.19339 9.3778 11.8325 numMergedOcc 0
38 mol 130 unq 0 iso 0 dist 5.96506 6.33857 8.78276 5.72266 7.88805 4.5207 numMergedOcc 0
39 mol 130 unq 0 iso 1 dist 5.96506 5.72266 7.88805 6.33857 8.78276 4.5207 numMergedOcc 0
40 mol 130 unq 1 iso 0 dist 5.96506 6.33857 8.78276 5.15286 7.96646 8.38345 numMergedOcc 0
41 mol 130 unq 1 iso 1 dist 5.96506 5.15286 7.96646 6.33857 8.78276 8.38345 numMergedOcc 0
42 mol 130 unq 2 iso 0 dist 5.96506 6.33857 8.78276 5.96312 7.90048 10.5137 numMergedOcc 0
43 mol 130 unq 2 iso 1 dist 5.96506 5.96312 7.90048 6.33857 8.78276 10.5137 numMergedOcc 0
44 mol 130 unq 1 iso 0 dist 5.96506 5.72266 7.88805 5.15286 7.96646 10.0969 numMergedOcc 0
45 mol 130 unq 1 iso 1 dist 5.96506 5.15286 7.96646 5.72266 7.88805 10.0969 numMergedOcc 0
46 mol 130 unq 2 iso 0 dist 5.96506 5.72266 7.88805 5.96312 7.90048 7.01619 numMergedOcc 0
47 mol 130 unq 2 iso 1 dist 5.96506 5.96312 7.90048 5.72266 7.88805 7.01619 numMergedOcc 0
48 mol 130 unq 2 iso 0 dist 5.96506 5.15286 7.96646 5.96312 7.90048 10.7116 numMergedOcc 0
49 mol 130 unq 2 iso 1 dist 5.96506 5.96312 7.90048 5.15286 7.96646 10.7116 numMergedOcc 0
50 mol 135 unq 0 iso 0 dist 9.03598 12.3033 7.90563 9.69024 8.97655 6.57193 numMergedOcc 0
51 mol 135 unq 0 iso 1 dist 9.03598 9.69024 8.97655 12.3033 7.90563 6.57193 numMergedOcc 0
52 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 15.1845 9.70413 11.4307 numMergedOcc 0
53 mol 141 unq 0 iso 1 dist 8.35864 15.1845 9.70413 10.4653 9.97343 11.4307 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 7.70894 6.2089 6.30021 11.8579 9.47433 5.76755 numMergedOcc 0
55 mol 156 unq 0 iso 1 dist 7.70894 11.8579 9.47433 6.2089 6.30021 5.76755 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 9.6281 5.0966 9.44367 5.75141 7.90267 5.56175 numMergedOcc 0
57 mol 156 unq 1 iso 1 dist 9.6281 5.75141 7.90267 5.0966 9.44367 5.56175 numMergedOcc 0
58 mol 156 unq 2 iso 0 dist 6.22667 9.07974 9.44367 5.70205 7.90267 5.56175 numMergedOcc 0
59 mol 156 unq 2 iso 1 dist 6.22667 5.70205 7.90267 9.07974 9.44367 5.56175 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 5.16386 6.41453 8.85576 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 6.66608 5.16386 6.41453 11.067 9.39829 8.85576 numMergedOcc 0
62 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 14.9157 6.86319 10.2747 numMergedOcc 0
63 mol 196 unq 0 iso 1 dist 9.47404 14.9157 6.86319 5.61672 6.70531 10.2747 numMergedOcc 0
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65 mol 226 unq 0 iso 1 dist 9.61639 6.92489 6.11704 9.11816 8.80683 5.16662 numMergedOcc 0
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67 mol 227 unq 0 iso 1 dist 8.61546 13.552 6.02296 14.5234 7.43071 4.39704 numMergedOcc 0
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69 mol 235 unq 0 iso 1 dist 6.86251 5.19684 6.21292 11.9319 6.36341 8.31875 numMergedOcc 0
70 mol 235 unq 1 iso 0 dist 6.86251 11.9319 6.36341 7.00293 9.21736 10.5547 numMergedOcc 0
71 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 11.9319 6.36341 10.5547 numMergedOcc 0
72 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 7.00293 9.21736 4.53064 numMergedOcc 0
73 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 5.19684 6.21292 4.53064 numMergedOcc 0
74 mol 235 unq 2 iso 0 dist 6.20377 12.3562 9.55668 5.19684 6.95126 9.89669 numMergedOcc 0
75 mol 235 unq 2 iso 1 dist 6.20377 5.19684 6.95126 12.3562 9.55668 9.89669 numMergedOcc 0
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84 mol 274 unq 1 iso 0 dist 8.30714 7.97998 7.46394 9.61244 8.91672 14.3919 numMergedOcc 0
85 mol 274 unq 1 iso 1 dist 8.30714 9.61244 8.91672 7.97998 7.46394 14.3919 numMergedOcc 0
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88 mol 274 unq 1 iso 0 dist 8.30714 12.3018 9.45514 9.61244 8.91672 11.7196 numMergedOcc 0
89 mol 274 unq 1 iso 1 dist 8.30714 9.61244 8.91672 12.3018 9.45514 11.7196 numMergedOcc 0
90 mol 274 unq 2 iso 0 dist 8.30714 12.3018 9.45514 5.7745 7.1729 6.828 numMergedOcc 0
91 mol 274 unq 2 iso 1 dist 8.30714 5.7745 7.1729 12.3018 9.45514 6.828 numMergedOcc 0
92 mol 274 unq 2 iso 0 dist 8.30714 9.61244 8.91672 5.7745 7.1729 10.0083 numMergedOcc 0
93 mol 274 unq 2 iso 1 dist 8.30714 5.7745 7.1729 9.61244 8.91672 10.0083 numMergedOcc 0
94 mol 274 unq 3 iso 0 dist 9.02661 17.306 8.52587 10.2307 6.39866 11.3308 numMergedOcc 0
95 mol 274 unq 3 iso 1 dist 9.02661 10.2307 6.39866 17.306 8.52587 11.3308 numMergedOcc 0
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98 mol 288 unq 0 iso 0 dist 8.9316 5.64519 8.91712 12.3119 9.65934 10.9208 numMergedOcc 0
99 mol 288 unq 0 iso 1 dist 8.9316 12.3119 9.65934 5.64519 8.91712 10.9208 numMergedOcc 0
100 mol 289 unq 0 iso 0 dist 8.9316 5.64519 8.91712 12.3119 9.65934 10.9208 numMergedOcc 0
101 mol 289 unq 0 iso 1 dist 8.9316 12.3119 9.65934 5.64519 8.91712 10.9208 numMergedOcc 0
