0 mol 43 unq 0 iso 0 dist 9.76585 12.7554 8.03754 20.7027 14.0204 8.80331 17.9821 12.8366 5.41726 6.6263 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.76585 12.7554 8.03754 15.6909 13.1056 6.20293 17.9821 12.8366 5.41726 6.75943 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.69184 8.59095 7.23812 17.4799 12.8453 9.96396 13.6195 12.8474 5.70116 9.73086 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.69184 8.59095 7.23812 12.9661 9.59988 6.19304 12.4071 13.1768 6.20232 8.68662 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.69184 8.59095 7.23812 12.9661 9.59988 6.19304 13.6195 12.8474 5.70116 7.4369 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 6.69184 8.59095 7.23812 10.1147 7.80518 8.70481 14.8882 10.4722 11.2069 5.5087 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 6.69184 8.59095 7.23812 10.1147 7.80518 8.70481 15.2181 12.7709 10.6713 6.08682 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.73946 6.75472 7.9258 12.5189 10.9791 9.33865 12.6105 12.5457 6.63111 6.39384 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.73946 6.75472 7.9258 5.02717 4.75197 5.83991 5.33827 7.84768 4.48636 7.69765 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.73946 6.75472 7.9258 5.02717 4.75197 5.83991 12.6105 12.5457 6.63111 9.42082 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.56319 14.4095 9.47554 9.84918 9.67676 8.00618 3.84992 10.3522 15.0115 8.77023 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.73038 5.37072 9.47554 5.82404 9.67676 8.00618 11.5628 10.3522 15.0115 8.77023 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.66811 13.3909 8.41774 20.3414 13.1435 8.56324 17.2204 12.9285 5.39112 6.59889 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.66811 13.3909 8.41774 20.3414 13.1435 8.56324 14.0389 11.2309 4.84714 8.9192 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 9.66811 13.3909 8.41774 19.9215 13.793 6.70283 17.2204 12.9285 5.39112 6.70693 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.63473 12.9803 9.23645 14.2113 6.45463 9.87651 11.8945 9.41209 7.87971 7.20495 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 9.63473 12.9803 9.23645 14.2113 6.45463 9.87651 20.7586 14.8848 12.0033 9.2289 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 9.63473 12.9803 9.23645 14.2113 6.45463 9.87651 18.1675 12.7968 11.6011 7.02548 numMergedOcc 0
18 mol 167 unq 3 iso 0 dist 8.39087 6.32863 9.23645 12.2455 6.45463 9.87651 9.62769 9.41209 7.87971 7.20495 numMergedOcc 0
19 mol 167 unq 4 iso 0 dist 8.39087 6.32863 9.23645 12.2455 6.45463 9.87651 17.0223 14.8848 12.0033 9.2289 numMergedOcc 0
20 mol 167 unq 5 iso 0 dist 8.39087 6.32863 9.23645 12.2455 6.45463 9.87651 15.5302 12.7968 11.6011 7.02548 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 9.05865 7.71028 9.32245 13.6682 6.45787 9.76807 10.2179 9.66676 4.78249 9.51256 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.13534 4.3226 7.7544 10.8641 10.8374 7.81386 11.195 13.6955 6.8757 6.64173 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 5.13534 4.3226 7.7544 10.8641 10.8374 7.81386 4.76079 5.97971 5.71898 9.01624 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 5.13534 4.3226 7.7544 10.8641 10.8374 7.81386 6.38851 9.30874 5.83796 9.55105 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.44038 13.5482 7.51951 8.87534 5.04299 7.26832 10.0544 10.4944 13.514 6.52816 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.39553 3.82437 6.61371 11.2664 9.63949 7.68742 5.14597 11.3386 4.89609 9.3206 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 5.83514 5.65577 4.80834 10.2894 7.04671 5.72887 3.68226 5.52788 7.06793 9.72188 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 9.51555 11.3442 8.15803 18.6793 11.2406 9.8993 16.1798 13.3254 9.39944 8.6759 numMergedOcc 0
