0 mol 11 unq 0 iso 0 dist 6.97875 11.2336 6.79478 7.75648 9.53002 16.1353 12.0426 10.9183 16.1805 8.73067 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.99634 10.8964 6.6003 11.6323 9.54144 5.78769 17.7697 11.4485 11.9735 9.32552 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 5.49623 6.36131 8.0614 6.26867 7.87814 12.5495 9.22889 6.54837 14.1519 5.9249 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 9.1329 6.69874 8.50159 11.1364 7.51358 9.76372 13.9172 5.95671 13.4955 7.2268 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.1329 6.69874 8.50159 11.1364 7.51358 9.76372 11.2227 4.33593 12.4947 9.69219 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.1329 6.69874 8.50159 16.0648 8.93296 11.9014 18.9904 9.9869 17.5893 9.28624 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 9.1329 6.69874 8.50159 16.0648 8.93296 11.9014 13.9172 5.95671 13.4955 8.31175 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 5.26938 3.66319 8.50159 7.62644 7.51358 9.76372 10.3471 5.95671 13.4955 7.2268 numMergedOcc 0
8 mol 87 unq 5 iso 0 dist 5.26938 3.66319 8.50159 7.62644 7.51358 9.76372 8.97589 4.33593 12.4947 9.69219 numMergedOcc 0
9 mol 87 unq 6 iso 0 dist 5.26938 3.66319 8.50159 10.8096 8.93296 11.9014 14.8963 9.9869 17.5893 9.28624 numMergedOcc 0
10 mol 87 unq 7 iso 0 dist 5.26938 3.66319 8.50159 10.8096 8.93296 11.9014 10.3471 5.95671 13.4955 8.31175 numMergedOcc 0
11 mol 87 unq 8 iso 0 dist 6.8014 7.58056 8.50159 5.5768 7.51358 9.76372 8.59105 5.95671 13.4955 7.2268 numMergedOcc 0
12 mol 87 unq 9 iso 0 dist 6.8014 7.58056 8.50159 5.5768 7.51358 9.76372 10.562 4.33593 12.4947 9.69219 numMergedOcc 0
13 mol 87 unq 10 iso 0 dist 6.8014 7.58056 8.50159 4.56692 8.93296 11.9014 11.8663 9.9869 17.5893 9.28624 numMergedOcc 0
14 mol 87 unq 11 iso 0 dist 6.8014 7.58056 8.50159 4.56692 8.93296 11.9014 8.59105 5.95671 13.4955 8.31175 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 6.30103 7.30364 7.84888 9.81259 7.06013 5.02124 7.31426 8.51055 7.2131 7.1539 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.30103 7.30364 7.84888 9.81259 7.06013 5.02124 12.1756 11.3858 7.44343 5.39745 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 5.97879 4.45081 8.64783 5.84883 6.73814 7.19662 15.2252 13.7032 16.9807 9.83981 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 5.44596 8.91817 9.93572 6.92517 7.27371 5.36419 11.9127 7.3833 11.4012 8.60108 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.18691 4.81215 5.46922 9.53126 7.7056 6.50232 9.70994 8.57817 5.75595 6.46089 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.90592 7.13388 5.46922 4.85796 7.7056 6.50232 9.98349 8.57817 5.75595 6.46089 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.6776 11.3267 8.69888 10.2578 9.8589 14.6255 8.79832 8.29015 15.8107 5.4997 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.6776 11.3267 8.69888 10.2578 9.8589 14.6255 14.4708 14.7282 21.213 6.99693 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 6.6776 4.44885 5.08206 10.2578 9.8589 11.5085 8.79832 8.29015 11.0322 5.4997 numMergedOcc 0
24 mol 175 unq 3 iso 0 dist 6.6776 4.44885 5.08206 10.2578 9.8589 11.5085 14.4708 14.7282 17.0306 6.99693 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 6.095 11.1791 9.18675 5.52229 7.22914 9.95811 9.62583 6.00069 14.3298 9.52615 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.53729 5.07076 7.7993 15.6651 7.19465 14.5897 9.29788 5.78064 11.2785 9.58354 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 8.53729 11.9553 6.10761 15.6651 7.19465 8.77813 9.29788 5.78064 11.2304 9.58354 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 8.07341 7.67871 7.7993 14.0411 7.19465 14.5897 9.50983 5.78064 11.2785 9.58354 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 8.07341 12.5746 6.10761 14.0411 7.19465 8.77813 9.50983 5.78064 11.2304 9.58354 numMergedOcc 0
