0 mol 6 unq 0 iso 0 dist 9.68907 7.6948 5.7654 7.74208 12.0033 6.6223 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.91627 5.25583 4.60834 7.86307 11.0859 7.03296 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.77145 5.99879 8.52308 9.26475 4.6744 8.20219 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.77145 5.99879 8.52308 6.5784 6.00428 11.663 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 4.87397 5.99879 7.47787 9.26475 6.0563 8.20219 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 4.87397 5.99879 7.47787 6.5784 5.77806 11.663 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.66549 9.37034 13.2642 7.46478 16.1058 13.9882 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.66549 6.60091 14.6943 7.46478 16.1058 10.1326 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.21127 8.73544 9.83127 9.36283 12.8154 6.6796 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 8.54297 6.49794 5.72562 8.04178 10.7037 5.53962 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.35162 6.49794 7.5191 8.04178 8.80709 5.53962 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.70772 9.89646 14.7037 7.9061 4.10092 15.5988 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.70772 9.89646 14.7037 4.48898 4.47436 10.9183 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.30966 9.07154 15.7941 9.65224 13.0391 11.5347 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 8.93292 8.60091 6.42012 8.08534 4.20431 4.54892 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 9.8678 9.87436 6.95887 8.91185 10.5909 6.19448 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 9.8678 9.87436 6.95887 9.28273 16.7592 14.9677 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 9.8678 7.27283 9.81993 8.91185 10.5909 8.1973 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 9.8678 7.27283 9.81993 9.28273 16.7592 8.46837 numMergedOcc 0
19 mol 266 unq 4 iso 0 dist 8.00278 9.87436 4.67233 8.91185 9.20087 6.19448 numMergedOcc 0
20 mol 266 unq 5 iso 0 dist 8.00278 9.87436 4.67233 9.28273 15.6855 14.9677 numMergedOcc 0
21 mol 266 unq 6 iso 0 dist 8.00278 7.27283 10.9633 8.91185 9.20087 8.1973 numMergedOcc 0
22 mol 266 unq 7 iso 0 dist 8.00278 7.27283 10.9633 9.28273 15.6855 8.46837 numMergedOcc 0
23 mol 266 unq 8 iso 0 dist 9.10275 6.25877 6.95887 7.98461 12.7711 5.87248 numMergedOcc 0
24 mol 266 unq 9 iso 0 dist 9.10275 6.25877 6.95887 5.60932 10.5909 6.19448 numMergedOcc 0
25 mol 266 unq 10 iso 0 dist 9.10275 8.35447 9.81993 7.98461 12.7711 14.3971 numMergedOcc 0
26 mol 266 unq 11 iso 0 dist 9.10275 8.35447 9.81993 5.60932 10.5909 8.1973 numMergedOcc 0
27 mol 266 unq 12 iso 0 dist 6.13722 6.25877 4.67233 7.98461 9.5105 5.87248 numMergedOcc 0
28 mol 266 unq 13 iso 0 dist 6.13722 6.25877 4.67233 5.60932 9.20087 6.19448 numMergedOcc 0
29 mol 266 unq 14 iso 0 dist 6.13722 8.35447 10.9633 7.98461 9.5105 14.3971 numMergedOcc 0
30 mol 266 unq 15 iso 0 dist 6.13722 8.35447 10.9633 5.60932 9.20087 8.1973 numMergedOcc 0
31 mol 267 unq 0 iso 0 dist 9.60447 9.70756 11.2997 9.18446 13.3347 11.1259 numMergedOcc 0
