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1 mol 14 unq 0 iso 1 dist 8.60571 10.9516 9.58196 7.12085 9.7022 5.53425 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.60571 7.12085 9.7022 11.3111 9.04767 5.67201 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 8.60571 11.3111 9.04767 7.12085 9.7022 5.67201 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 8.60571 10.9516 9.58196 11.3111 9.04767 4.53725 numMergedOcc 0
5 mol 14 unq 1 iso 1 dist 8.60571 11.3111 9.04767 10.9516 9.58196 4.53725 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 numMergedOcc 0
7 mol 15 unq 0 iso 1 dist 9.70735 4.90888 6.82505 9.40358 9.97507 5.17568 numMergedOcc 0
8 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 9.30561 7.3094 9.70492 numMergedOcc 0
9 mol 18 unq 0 iso 1 dist 6.39243 9.30561 7.3094 15.2831 9.51761 9.70492 numMergedOcc 0
10 mol 18 unq 1 iso 0 dist 9.1715 17.8306 9.51761 14.3582 7.3094 9.70492 numMergedOcc 0
11 mol 18 unq 1 iso 1 dist 9.1715 14.3582 7.3094 17.8306 9.51761 9.70492 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 numMergedOcc 0
16 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 10.3287 7.34143 9.162 numMergedOcc 0
17 mol 52 unq 0 iso 1 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 numMergedOcc 0
18 mol 52 unq 1 iso 0 dist 7.1203 5.92851 9.80098 6.03647 7.34143 9.162 numMergedOcc 0
19 mol 52 unq 1 iso 1 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 numMergedOcc 0
20 mol 61 unq 0 iso 0 dist 9.70415 5.46309 6.65721 11.9897 6.72123 6.86346 numMergedOcc 0
21 mol 61 unq 0 iso 1 dist 9.70415 11.9897 6.72123 5.46309 6.65721 6.86346 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 numMergedOcc 0
23 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 numMergedOcc 0
25 mol 72 unq 1 iso 1 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.5384 7.66905 5.42586 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.29763 5.73196 6.87425 numMergedOcc 0
29 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 11.609 7.47541 6.87425 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 13.5384 7.66905 10.1164 numMergedOcc 0
32 mol 95 unq 0 iso 0 dist 9.72688 9.68673 7.88289 15.0368 9.01083 8.18643 numMergedOcc 0
33 mol 95 unq 0 iso 1 dist 9.72688 15.0368 9.01083 9.68673 7.88289 8.18643 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 numMergedOcc 0
40 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 numMergedOcc 0
41 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 numMergedOcc 0
42 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 numMergedOcc 0
43 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 numMergedOcc 0
44 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 numMergedOcc 0
45 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 numMergedOcc 0
46 mol 100 unq 2 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 numMergedOcc 0
47 mol 100 unq 2 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 numMergedOcc 0
48 mol 100 unq 3 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 numMergedOcc 0
49 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 numMergedOcc 0
50 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 numMergedOcc 0
51 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 numMergedOcc 0
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53 mol 100 unq 4 iso 1 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 numMergedOcc 0
54 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 numMergedOcc 0
55 mol 100 unq 5 iso 1 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 numMergedOcc 0
56 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 numMergedOcc 0
57 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 5.92158 7.47343 13.887 numMergedOcc 0
58 mol 100 unq 5 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 numMergedOcc 0
59 mol 100 unq 5 iso 1 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 numMergedOcc 0
60 mol 100 unq 6 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 numMergedOcc 0
61 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 5.85449 6.65086 5.38414 numMergedOcc 0
62 mol 100 unq 6 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 numMergedOcc 0
63 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 7.68675 6.56369 6.39938 numMergedOcc 0
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67 mol 115 unq 1 iso 1 dist 6.55511 6.00348 7.11972 5.47689 5.11551 6.5838 numMergedOcc 0
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69 mol 115 unq 2 iso 1 dist 8.46684 5.28643 5.39945 5.14332 6.90986 5.67807 numMergedOcc 0
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127 mol 261 unq 0 iso 1 dist 6.82526 10.3274 8.45658 10.9571 9.14619 7.00201 numMergedOcc 0
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129 mol 261 unq 1 iso 1 dist 8.17205 9.27298 8.43057 10.3933 8.02547 10.0727 numMergedOcc 0
130 mol 261 unq 2 iso 0 dist 8.17205 10.3933 8.02547 7.8624 6.05727 5.51688 numMergedOcc 0
131 mol 261 unq 2 iso 1 dist 8.17205 7.8624 6.05727 10.3933 8.02547 5.51688 numMergedOcc 0
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133 mol 261 unq 2 iso 1 dist 8.17205 7.8624 6.05727 9.27298 8.43057 4.63549 numMergedOcc 0
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137 mol 280 unq 0 iso 1 dist 8.80588 5.80223 6.0664 8.30978 6.53701 5.51836 numMergedOcc 0
