0 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 16.0184 10.7304 8.95682 7.80117 5.46849 9.02471 10.4863 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 11.9521 10.7304 8.95682 9.79386 5.46849 9.02471 10.4863 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 18.7002 10.4216 8.31932 13.6468 8.94532 5.54256 7.28191 numMergedOcc 0
3 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 18.7002 12.8733 8.31932 13.6468 6.94341 5.54256 7.28191 numMergedOcc 0
4 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 11.4976 10.4216 8.31932 9.5434 8.94532 5.54256 7.28191 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 12.7156 12.5697 6.84011 16.5663 13.1958 9.93438 5.99273 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 15.0655 7.09391 9.23819 16.2696 12.2092 4.42563 11.3935 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 9.44209 11.9943 8.33083 18.2821 10.4589 8.88537 16.2696 12.2092 4.42563 8.90201 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.26291 5.25879 8.54461 6.87196 7.91054 8.78276 8.12319 4.81304 8.81797 3.88766 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.26291 10.9365 7.83619 6.87196 7.91054 7.96646 8.12319 4.81304 5.92733 3.88766 numMergedOcc 0
10 mol 130 unq 2 iso 0 dist 7.86001 10.7254 8.54461 12.3159 7.91054 8.78276 9.04366 4.81304 8.81797 3.88766 numMergedOcc 0
11 mol 130 unq 3 iso 0 dist 7.86001 5.63567 7.83619 12.3159 7.91054 7.96646 9.04366 4.81304 5.92733 3.88766 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 5.43662 4.17212 8.70296 8.44004 5.51548 8.80895 5.92118 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 5.50364 5.29825 8.97145 13.3064 13.6005 9.25558 8.44004 5.51548 8.80895 10.2176 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.7301 5.29825 6.5874 5.43662 9.64263 8.70296 8.44004 5.61122 8.80895 5.92118 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 8.7301 5.29825 6.5874 13.3064 5.55307 9.25558 8.44004 5.61122 8.80895 10.2176 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 8.67807 11.932 8.76218 16.5101 10.886 8.87569 15.7025 9.23383 5.61673 6.65209 numMergedOcc 0
17 mol 174 unq 1 iso 0 dist 8.67807 11.932 8.76218 15.3474 11.8159 9.87122 15.7025 9.23383 5.61673 9.87207 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 15.2004 10.5222 9.39352 7.19751 10.8953 9.19156 11.8094 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 13.0786 11.5146 8.14332 16.8412 10.5963 9.09354 13.1121 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 8.84278 8.28789 4.58599 13.0786 11.5146 8.14332 10.0436 5.36904 4.66576 6.78109 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 10.3104 7.48655 8.84636 7.99963 7.72768 4.43499 5.76503 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.6353 14.679 9.85289 12.6023 10.9841 9.83622 5.14522 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 15.8084 14.679 9.85289 14.6926 10.9841 9.83622 5.14522 numMergedOcc 0
