0 mol 0 unq 0 iso 0 dist 7.55723 4.53161 6.44948 4.18909 6.80636 6.79669 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.97875 11.2336 6.79478 7.75648 9.53002 16.1353 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.99634 10.8964 6.6003 8.21081 9.80142 5.29079 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.99634 10.8964 6.6003 11.6323 9.54144 5.78769 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.24121 7.48749 9.74996 6.51655 7.04352 4.68683 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 8.24121 7.48749 9.74996 15.9496 8.1114 17.5002 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.49623 6.36131 8.0614 6.26867 7.87814 12.5495 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 9.1329 6.69874 8.50159 11.1364 7.51358 9.76372 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 9.1329 6.69874 8.50159 16.0648 8.93296 11.9014 numMergedOcc 0
9 mol 87 unq 2 iso 0 dist 5.26938 3.66319 8.50159 7.62644 7.51358 9.76372 numMergedOcc 0
10 mol 87 unq 3 iso 0 dist 5.26938 3.66319 8.50159 10.8096 8.93296 11.9014 numMergedOcc 0
11 mol 87 unq 4 iso 0 dist 6.8014 7.58056 8.50159 5.5768 7.51358 9.76372 numMergedOcc 0
12 mol 87 unq 5 iso 0 dist 6.8014 7.58056 8.50159 4.56692 8.93296 11.9014 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.30103 7.30364 7.84888 9.81259 7.06013 5.02124 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.97879 4.45081 8.64783 5.84883 6.73814 7.19662 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 7.73139 14.0161 8.40046 11.54 9.81878 7.34983 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 6.66607 6.39358 8.40046 6.09683 9.81878 7.34983 numMergedOcc 0
17 mol 127 unq 2 iso 0 dist 8.62711 15.8417 8.40046 13.376 9.81878 7.34983 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 5.44596 8.91817 9.93572 6.92517 7.27371 5.36419 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.18691 4.81215 5.46922 9.53126 7.7056 6.50232 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.90592 7.13388 5.46922 4.85796 7.7056 6.50232 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 6.53758 5.2941 7.02715 6.40439 8.87452 5.84938 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 6.53758 5.2941 7.02715 6.76022 7.68368 9.52867 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 6.6776 11.3267 8.69888 10.2578 9.8589 14.6255 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 6.6776 4.44885 5.08206 10.2578 9.8589 11.5085 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.40003 10.6403 8.49704 13.377 6.97182 13.4309 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 9.40003 10.6403 8.49704 9.36638 6.1175 13.5787 numMergedOcc 0
27 mol 214 unq 2 iso 0 dist 8.68385 15.7236 8.49704 8.07861 6.97182 13.4309 numMergedOcc 0
28 mol 214 unq 3 iso 0 dist 8.68385 15.7236 8.49704 10.2576 6.1175 13.5787 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 8.9077 15.8912 7.31105 10.4277 6.84247 12.3402 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 8.9077 15.8912 7.31105 12.6281 6.99002 7.84277 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 4.79841 6.4556 6.56437 5.64308 7.06793 11.7838 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 4.79841 6.4556 6.56437 7.32238 6.67585 10.4999 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 4.79841 5.66462 6.23882 5.64308 7.06793 9.57742 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 4.79841 5.66462 6.23882 7.32238 6.67585 12.0368 numMergedOcc 0
35 mol 224 unq 4 iso 0 dist 4.79841 7.70922 9.53131 5.64308 7.06793 8.30442 numMergedOcc 0
36 mol 224 unq 5 iso 0 dist 4.79841 7.70922 9.53131 7.32238 6.67585 4.63666 numMergedOcc 0
37 mol 224 unq 6 iso 0 dist 4.79841 9.46589 9.34636 5.64308 7.06793 5.46434 numMergedOcc 0
38 mol 224 unq 7 iso 0 dist 4.79841 9.46589 9.34636 7.32238 6.67585 5.03449 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 6.095 11.1791 9.18675 5.17887 5.86443 6.07589 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 6.095 11.1791 9.18675 5.52229 7.22914 9.95811 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 8.53729 5.07076 7.7993 15.6651 7.19465 14.5897 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 8.53729 11.9553 6.10761 15.6651 7.19465 8.77813 numMergedOcc 0
43 mol 253 unq 2 iso 0 dist 8.07341 7.67871 7.7993 14.0411 7.19465 14.5897 numMergedOcc 0
44 mol 253 unq 3 iso 0 dist 8.07341 12.5746 6.10761 14.0411 7.19465 8.77813 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 9.67877 9.0655 5.73296 13.6436 6.49982 5.28906 numMergedOcc 0
46 mol 272 unq 0 iso 0 dist 4.78812 8.20642 6.94346 6.99865 6.73206 5.40622 numMergedOcc 0
47 mol 272 unq 1 iso 0 dist 6.62923 6.07797 9.1118 6.99865 9.09992 11.5698 numMergedOcc 0
48 mol 272 unq 2 iso 0 dist 6.62923 6.07797 9.1118 10.3424 6.16449 11.0654 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 5.30976 4.48428 9.05218 10.4141 8.76347 11.6861 numMergedOcc 0
50 mol 284 unq 0 iso 0 dist 6.86342 5.36467 8.10742 5.13259 7.52785 4.93259 numMergedOcc 0
