0 mol 43 unq 0 iso 0 dist 9.76585 12.7554 8.03754 15.6909 13.1056 6.20293 14.9742 12.7352 5.06502 5.73819 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.76585 12.7554 8.03754 15.6909 13.1056 6.20293 9.56289 10.5813 6.45462 8.93915 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.69184 8.59095 7.23812 17.4799 12.8453 9.96396 20.0381 14.8693 15.7123 9.38498 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.69184 8.59095 7.23812 17.4799 12.8453 9.96396 16.6671 10.5158 12.016 9.75218 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.73946 6.75472 7.9258 12.5189 10.9791 9.33865 11.0268 12.4685 8.02349 6.11741 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.73946 6.75472 7.9258 5.02717 4.75197 5.83991 5.28901 9.26923 10.8507 7.30858 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.73946 6.75472 7.9258 5.02717 4.75197 5.83991 11.0268 12.4685 8.02349 7.88312 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 5.16531 10.0961 8.59695 6.38163 6.13737 5.83384 8.61575 11.3703 9.05135 9.61051 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 6.65878 5.56946 8.00624 13.5311 15.4586 8.54584 6.4379 11.5175 4.61027 8.53613 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.56319 14.4095 9.47554 9.84918 9.67676 8.00618 14.8707 15.8406 11.965 6.29155 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.56319 14.4095 9.47554 9.84918 9.67676 8.00618 13.46 13.9771 7.79672 6.80239 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 9.73038 5.37072 9.47554 5.82404 9.67676 8.00618 10.2385 15.8406 11.965 6.29155 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 9.73038 5.37072 9.47554 5.82404 9.67676 8.00618 4.64588 13.9771 7.79672 6.80239 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 5.84909 5.36939 9.1146 10.8427 11.0256 7.11802 12.4925 15.6213 8.18495 8.00618 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.66811 13.3909 8.41774 19.9215 13.793 6.70283 16.9138 13.7313 5.42328 5.87555 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.66811 13.3909 8.41774 19.9215 13.793 6.70283 14.4008 12.3711 6.4896 8.67331 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 9.66811 13.3909 8.41774 18.044 11.2124 7.16148 16.9138 13.7313 5.42328 8.87437 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 9.66811 13.3909 8.41774 18.044 11.2124 7.16148 14.4008 12.3711 6.4896 8.05741 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 5.13534 4.3226 7.7544 10.8641 10.8374 7.81386 10.2384 11.1074 8.85576 7.63312 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 9.44038 13.5482 7.51951 8.87534 5.04299 7.26832 10.0861 9.80543 7.38516 6.03031 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 9.44038 13.5482 7.51951 8.87534 5.04299 7.26832 10.6076 12.4766 13.8543 7.80463 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 8.39553 3.82437 6.61371 8.90987 5.03564 6.84306 5.26654 10.4172 5.79505 8.03456 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 8.39553 3.82437 6.61371 8.90987 5.03564 6.84306 13.8124 14.1598 11.3368 9.99038 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 8.39553 3.82437 6.61371 8.90987 5.03564 6.84306 11.2846 13.7045 11.8739 9.78037 numMergedOcc 0
24 mol 236 unq 3 iso 0 dist 8.39553 3.82437 6.61371 8.90987 5.03564 6.84306 16.8883 12.4813 14.7998 8.35971 numMergedOcc 0
25 mol 236 unq 4 iso 0 dist 8.39553 3.82437 6.61371 11.2664 9.63949 7.68742 5.26654 10.4172 5.79505 9.81562 numMergedOcc 0
26 mol 236 unq 5 iso 0 dist 8.39553 3.82437 6.61371 11.2664 9.63949 7.68742 13.8124 14.1598 11.3368 6.27581 numMergedOcc 0
27 mol 236 unq 6 iso 0 dist 9.51001 16.4752 9.44496 13.3367 7.41812 8.04248 11.2013 9.13551 7.43758 8.35971 numMergedOcc 0
28 mol 236 unq 7 iso 0 dist 9.51001 4.15973 7.87233 12.3675 15.6279 9.81562 11.2013 9.13551 7.28249 8.03456 numMergedOcc 0
29 mol 236 unq 8 iso 0 dist 9.51001 4.15973 7.87233 11.0771 13.7246 7.68742 11.2013 9.13551 7.28249 6.84306 numMergedOcc 0
30 mol 236 unq 9 iso 0 dist 9.51001 4.15973 7.87233 5.66569 10.5269 6.27581 11.2013 9.13551 7.28249 9.99038 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 9.51555 11.3442 8.15803 18.6793 11.2406 9.8993 17.9765 12.9942 6.88557 6.87396 numMergedOcc 0
