0 mol 43 unq 0 iso 0 dist 9.76585 12.7554 8.03754 20.7027 14.0204 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.76585 12.7554 8.03754 15.6909 13.1056 6.20293 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.6338 6.16737 8.44473 9.22002 11.2947 6.65721 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.6338 6.16737 8.44473 7.52103 4.78811 6.72123 numMergedOcc 0
4 mol 61 unq 2 iso 0 dist 7.31677 4.90701 8.44473 11.0419 11.2947 6.65721 numMergedOcc 0
5 mol 61 unq 3 iso 0 dist 7.31677 4.90701 8.44473 8.46556 4.78811 6.72123 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.69184 8.59095 7.23812 17.4799 12.8453 9.96396 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.69184 8.59095 7.23812 12.9661 9.59988 6.19304 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.69184 8.59095 7.23812 10.1147 7.80518 8.70481 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.73946 6.75472 7.9258 12.5189 10.9791 9.33865 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.73946 6.75472 7.9258 5.02717 4.75197 5.83991 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 5.16531 10.0961 8.59695 6.38163 6.13737 5.83384 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.65878 5.56946 8.00624 13.5311 15.4586 8.54584 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.56319 14.4095 9.47554 12.969 5.34829 7.11802 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.56319 14.4095 9.47554 9.84918 9.67676 8.00618 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 9.73038 5.37072 9.47554 9.50322 5.34829 7.11802 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 9.73038 5.37072 9.47554 5.82404 9.67676 8.00618 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 5.84909 5.36939 9.1146 10.8427 11.0256 7.11802 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.66811 13.3909 8.41774 20.3414 13.1435 8.56324 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.66811 13.3909 8.41774 19.9215 13.793 6.70283 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.66811 13.3909 8.41774 18.044 11.2124 7.16148 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.63473 12.9803 9.23645 14.2113 6.45463 9.87651 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 8.39087 6.32863 9.23645 12.2455 6.45463 9.87651 numMergedOcc 0
23 mol 170 unq 0 iso 0 dist 9.05865 7.71028 9.32245 13.6682 6.45787 9.76807 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.13534 4.3226 7.7544 10.8641 10.8374 7.81386 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.44038 13.5482 7.51951 8.87534 5.04299 7.26832 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.81277 4.78067 6.23932 13.2374 13.4557 9.61492 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 5.81277 4.78067 6.23932 9.34594 4.37383 7.45763 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 9.85777 4.2475 6.94789 13.2057 6.98812 9.61492 numMergedOcc 0
29 mol 205 unq 4 iso 0 dist 9.85777 4.2475 6.94789 6.752 12.019 7.45763 numMergedOcc 0
30 mol 205 unq 5 iso 0 dist 5.05912 4.2475 6.23932 13.2057 13.4557 9.61492 numMergedOcc 0
31 mol 205 unq 6 iso 0 dist 5.05912 4.2475 6.23932 6.752 4.37383 7.45763 numMergedOcc 0
32 mol 205 unq 7 iso 0 dist 6.60429 6.8901 6.23932 13.3164 13.4557 9.61492 numMergedOcc 0
33 mol 205 unq 8 iso 0 dist 6.60429 6.8901 6.23932 5.4913 4.37383 7.45763 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 5.70065 3.84723 6.13878 8.62103 5.4508 6.18308 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 8.39553 3.82437 6.61371 8.90987 5.03564 6.84306 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 8.39553 3.82437 6.61371 11.2664 9.63949 7.68742 numMergedOcc 0
37 mol 236 unq 2 iso 0 dist 9.51001 16.4752 9.44496 13.3367 7.41812 8.04248 numMergedOcc 0
38 mol 236 unq 3 iso 0 dist 9.51001 4.15973 7.87233 12.3675 15.6279 9.81562 numMergedOcc 0
39 mol 236 unq 4 iso 0 dist 9.51001 4.15973 7.87233 11.0771 13.7246 7.68742 numMergedOcc 0
40 mol 236 unq 5 iso 0 dist 9.51001 4.15973 7.87233 5.66569 10.5269 6.27581 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.83514 5.65577 4.80834 10.2894 7.04671 5.72887 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 8.27336 5.79034 8.23381 10.5495 7.48984 6.97229 numMergedOcc 0
43 mol 276 unq 0 iso 0 dist 9.51555 11.3442 8.15803 18.6793 11.2406 9.8993 numMergedOcc 0
