0 mol 39 unq 0 iso 0 dist 9.83017 8.70893 8.43814 6.82468 8.16689 6.26783 numMergedOcc 0
1 mol 39 unq 0 iso 1 dist 9.83017 6.82468 8.16689 8.70893 8.43814 6.26783 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 5.1736 5.93243 8.43814 5.03446 8.16689 6.26783 numMergedOcc 0
3 mol 39 unq 1 iso 1 dist 5.1736 5.03446 8.16689 5.93243 8.43814 6.26783 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.9648 11.5787 6.96494 6.06895 7.01363 6.49184 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 9.9648 6.06895 7.01363 11.5787 6.96494 6.49184 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.06039 13.312 9.86739 10.7702 8.39249 7.68699 numMergedOcc 0
7 mol 114 unq 0 iso 1 dist 6.06039 10.7702 8.39249 13.312 9.86739 7.68699 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 6.06039 13.312 9.86739 5.06074 8.93623 11.9022 numMergedOcc 0
9 mol 114 unq 1 iso 1 dist 6.06039 5.06074 8.93623 13.312 9.86739 11.9022 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.06039 10.7702 8.39249 5.06074 8.93623 10.0883 numMergedOcc 0
11 mol 114 unq 1 iso 1 dist 6.06039 5.06074 8.93623 10.7702 8.39249 10.0883 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.46812 12.3706 9.94276 12.9387 9.05357 7.38238 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 7.46812 12.9387 9.05357 12.3706 9.94276 7.38238 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.46812 12.3706 9.94276 5.28979 5.99299 7.08159 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 7.46812 5.28979 5.99299 12.3706 9.94276 7.08159 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 7.46812 12.9387 9.05357 5.28979 5.99299 9.00907 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 7.46812 5.28979 5.99299 12.9387 9.05357 9.00907 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 5.89833 6.72205 8.20656 10.7557 9.40622 5.3528 numMergedOcc 0
19 mol 181 unq 0 iso 1 dist 5.89833 10.7557 9.40622 6.72205 8.20656 5.3528 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.48151 13.6126 8.74171 11.1543 6.85195 7.39803 numMergedOcc 0
21 mol 213 unq 0 iso 1 dist 7.48151 11.1543 6.85195 13.6126 8.74171 7.39803 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 9.89345 4.76056 8.89778 10.7068 9.47554 6.88258 numMergedOcc 0
23 mol 224 unq 0 iso 1 dist 9.89345 10.7068 9.47554 4.76056 8.89778 6.88258 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 11.4309 7.51827 14.0478 numMergedOcc 0
25 mol 225 unq 0 iso 1 dist 8.7572 11.4309 7.51827 5.14615 8.75834 14.0478 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.33963 5.42723 6.152 6.20562 7.95168 8.55671 numMergedOcc 0
27 mol 227 unq 0 iso 1 dist 9.33963 6.20562 7.95168 5.42723 6.152 8.55671 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.75924 12.6574 9.1101 14.7341 8.93338 8.07376 numMergedOcc 0
29 mol 243 unq 0 iso 1 dist 8.75924 14.7341 8.93338 12.6574 9.1101 8.07376 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 8.51531 4.82553 5.94383 11.4033 7.88284 6.59053 numMergedOcc 0
31 mol 250 unq 0 iso 1 dist 8.51531 11.4033 7.88284 4.82553 5.94383 6.59053 numMergedOcc 0
32 mol 270 unq 0 iso 0 dist 9.91826 14.286 9.16073 7.58893 6.79822 6.73396 numMergedOcc 0
33 mol 270 unq 0 iso 1 dist 9.91826 7.58893 6.79822 14.286 9.16073 6.73396 numMergedOcc 0
34 mol 293 unq 0 iso 0 dist 9.94817 6.7502 9.70656 4.50476 6.33356 4.6465 numMergedOcc 0
35 mol 293 unq 0 iso 1 dist 9.94817 4.50476 6.33356 6.7502 9.70656 4.6465 numMergedOcc 0
