0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 18.0394 12.8323 14.0737 9.87885 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 13.7266 5.69214 12.1911 7.95042 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 12.5916 5.41726 12.8366 6.6263 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 12.5916 5.41726 12.8366 6.75943 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 5.73331 4.09692 9.47348 8.14351 8.93915 9.92508 12.5916 10.0383 15.6164 6.75943 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 9.21978 6.63111 12.5457 6.39384 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 6.17349 4.48636 7.84768 7.69765 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 9.21978 6.63111 12.5457 9.42082 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.00798 6.59051 9.1987 5.57978 8.54584 10.4463 8.62413 12.1739 14.8046 5.51197 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.00798 6.59051 9.1987 5.57978 8.54584 10.4463 6.93102 5.63254 11.9391 8.86944 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 7.00798 6.59051 9.1987 5.57978 8.54584 10.4463 8.4375 8.26896 14.4301 6.69691 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 7.33743 15.0115 10.3522 8.77023 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 12.8022 5.39112 12.9285 6.59889 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 13.3531 4.84714 11.2309 8.9192 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 12.8022 5.39112 12.9285 6.70693 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 5.4647 6.42973 14.7977 7.06025 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 14.8114 6.42973 14.7977 7.06025 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 11.1968 6.8757 13.6955 6.64173 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 9.45579 5.71898 5.97971 9.01624 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 11.3781 5.83796 9.30874 9.55105 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 19.2865 13.514 10.4944 6.52816 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.47457 5.39078 8.80858 5.15333 6.65832 4.46743 11.4433 5.76843 10.0366 6.99769 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 11.4433 5.76843 10.0366 8.79428 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 11.4433 5.76843 10.0366 6.8692 numMergedOcc 0
