0 mol 7 unq 0 iso 0 dist 9.90117 6.96396 7.21217 6.22805 6.09254 7.10621 12.2255 14.899 13.156 9.67164 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 10.392 10.4716 9.96396 11.1632 10.1662 5.70116 9.73086 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 6.30194 5.2774 6.19304 10.7557 9.71578 6.20232 8.68662 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 5.39171 10.5627 6.89722 6.30194 5.2774 6.19304 11.1632 10.1662 5.70116 7.4369 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 19.8403 15.9711 11.2069 5.5087 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 20.5078 16.9878 10.6713 6.08682 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.27355 10.8067 9.68526 10.392 8.31041 9.38498 11.1632 11.4233 17.4121 9.73086 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 9.27355 10.5627 7.26679 10.392 8.31041 9.96396 11.1632 11.4233 5.70116 9.73086 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 9.27355 10.5627 7.26679 6.30194 5.44275 6.19304 10.7557 12.3622 6.20232 8.68662 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 9.27355 10.5627 7.26679 6.30194 5.44275 6.19304 11.1632 11.4233 5.70116 7.4369 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 19.8403 11.9031 11.2069 5.5087 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 20.5078 14.3253 10.6713 6.08682 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 9.27355 17.4113 9.30776 10.392 8.31041 9.75218 11.1632 11.4233 14.844 9.73086 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 8.60363 10.8067 9.72442 10.392 11.7069 9.38498 11.1632 14.3455 17.4121 9.73086 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 9.27331 10.163 9.72442 15.2052 11.7069 9.38498 21.322 14.3455 17.4121 9.73086 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.67865 5.1767 4.98104 10.9081 10.7572 7.4729 5.99325 8.67475 4.46885 8.3773 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 6.4737 7.20811 9.74498 13.03 10.7816 8.67331 16.184 16.2421 9.67475 6.70693 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 18.3231 12.2822 6.69288 11.8474 6.95432 6.42973 7.06025 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 16.4033 11.1879 8.03334 12.8656 12.4544 6.50233 9.76212 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 9.04374 4.91322 6.57273 16.8772 11.6785 7.05804 8.79428 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.62593 11.4653 9.33771 15.1903 12.979 5.78342 16.8772 11.6785 7.05804 6.8692 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 7.62593 12.5358 7.39839 14.7665 7.65225 6.65832 16.8772 11.6785 5.76843 6.99769 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 7.62593 12.5358 7.39839 9.04374 4.91322 6.60589 16.8772 11.6785 5.76843 8.79428 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 7.62593 12.5358 7.39839 15.1903 12.979 9.16166 16.8772 11.6785 5.76843 6.8692 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.57184 7.01206 5.24313 13.8075 12.1448 7.31233 14.5017 13.7468 11.0772 9.08509 numMergedOcc 0
25 mol 248 unq 0 iso 0 dist 8.11968 9.48478 8.71859 6.44967 4.53213 7.69895 9.33595 7.90773 4.58289 9.05018 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 11.4871 5.71237 8.13497 12.8888 12.5187 12.2293 9.46361 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 12.8888 12.5187 11.6988 9.46361 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 15.494 13.565 10.067 5.85442 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 12.8888 12.5187 11.6988 6.95511 numMergedOcc 0
30 mol 259 unq 4 iso 0 dist 6.76656 10.908 6.77279 6.96379 5.71237 8.13497 8.41608 12.5187 12.2293 9.46361 numMergedOcc 0
31 mol 259 unq 5 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 8.41608 12.5187 11.6988 9.46361 numMergedOcc 0
32 mol 259 unq 6 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 10.9987 13.565 10.067 5.85442 numMergedOcc 0
33 mol 259 unq 7 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 8.41608 12.5187 11.6988 6.95511 numMergedOcc 0
34 mol 259 unq 8 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 6.04392 10.8564 5.21606 9.63573 numMergedOcc 0
35 mol 259 unq 9 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 15.7355 19.7286 11.8896 7.66153 numMergedOcc 0
36 mol 259 unq 10 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 7.13868 10.8564 5.21606 9.63573 numMergedOcc 0
37 mol 259 unq 11 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 16.9058 19.7286 11.8896 7.66153 numMergedOcc 0
