0 mol 11 unq 0 iso 0 dist 5.7435 11.1513 9.53002 11.4417 10.9183 8.73067 14.961 14.7815 8.05213 5.96346 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.97635 8.98505 5.02241 4.38047 4.29856 6.30987 6.76462 6.83299 5.06052 6.14538 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 5.84625 5.49591 9.11258 5.40367 6.35756 6.47744 8.80614 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65344 10.4897 6.71911 16.2055 9.64444 9.2902 13.1729 7.71095 5.33688 6.73347 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 6.23138 6.21578 9.32552 4.96726 9.67592 5.3948 9.97159 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 16.651 8.44406 7.10439 18.1626 11.4799 7.41074 9.24757 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.18305 4.31731 4.65521 9.54477 6.56633 7.10439 4.69583 6.19304 7.41074 9.24757 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 8.97111 6.0268 7.36017 4.84035 6.06638 7.01257 6.30546 numMergedOcc 0
8 mol 126 unq 1 iso 0 dist 8.32241 4.56139 7.75534 9.44367 8.01268 5.14819 8.85684 12.1603 5.15767 6.29233 numMergedOcc 0
9 mol 126 unq 2 iso 0 dist 8.32241 4.56139 7.75534 11.0056 10.2072 6.84245 8.85684 12.1603 5.15767 5.42406 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.86531 5.80615 7.92688 6.42904 5.92062 6.51868 6.26797 7.11802 4.68409 9.22661 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.86531 5.80615 7.92688 10.0298 6.61891 7.34698 6.26797 7.11802 4.68409 7.56378 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 12.1527 4.57832 8.73604 15.5033 11.9139 10.1448 7.69991 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.92932 6.27009 8.79571 12.1527 4.57832 8.73604 10.5108 8.94367 5.41704 6.23142 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.92932 6.27009 8.79571 12.1527 4.57832 8.73604 6.20443 9.86662 6.17103 9.94764 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 9.60411 6.27009 5.42582 12.1527 5.29786 8.73604 15.5033 9.5126 10.1448 7.69991 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 9.60411 6.27009 5.42582 12.1527 5.29786 8.73604 10.5108 6.37586 5.41704 6.23142 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 9.60411 6.27009 5.42582 12.1527 5.29786 8.73604 6.20443 9.71307 6.17103 9.94764 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 9.55556 10.2625 8.79571 11.9876 4.57832 8.73604 16.3074 11.9139 10.1448 7.69991 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 9.55556 10.2625 8.79571 11.9876 4.57832 8.73604 11.9294 8.94367 5.41704 6.23142 numMergedOcc 0
20 mol 134 unq 8 iso 0 dist 9.55556 10.2625 8.79571 11.9876 4.57832 8.73604 6.36794 9.86662 6.17103 9.94764 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 6.7973 5.10076 7.16254 13.2147 10.4923 9.0529 10.1253 12.1555 5.48883 8.69157 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 6.7973 5.10076 7.16254 13.2147 10.4923 9.0529 13.1651 13.5605 9.36596 6.53347 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 6.7973 9.64056 9.86313 15.842 11.0769 9.80845 12.5957 10.2463 6.34186 7.92304 numMergedOcc 0
24 mol 155 unq 3 iso 0 dist 6.7973 9.64056 9.86313 13.2147 10.4923 7.55196 10.1253 12.1555 8.78665 8.69157 numMergedOcc 0
25 mol 155 unq 4 iso 0 dist 6.7973 9.64056 9.86313 13.2147 10.4923 7.55196 13.1651 13.5605 5.40375 6.53347 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 13.401 5.63555 5.97685 12.9554 7.63312 9.60512 5.9176 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.84952 10.9006 7.37327 13.401 5.63555 8.9289 12.9554 7.63312 13.3389 5.9176 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 7.86368 16.9465 9.5707 14.6064 10.0059 7.43663 16.1672 10.3625 5.9221 7.32499 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 8.48065 5.52698 8.21247 10.8785 7.60081 7.95766 5.23741 5.4638 4.65302 9.55668 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 8.48065 5.52698 8.21247 10.8785 7.60081 7.95766 11.7809 11.3258 6.43692 6.95126 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.32451 4.81145 6.05141 11.9862 10.7081 8.09718 17.7142 13.9668 13.171 7.57812 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 11.9862 10.7081 8.09718 14.3956 16.4238 11.9142 9.24557 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.32451 4.81145 6.05141 11.4318 5.50308 6.73446 17.7142 13.9668 13.171 8.69104 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 8.90398 8.75685 8.71497 12.1767 15.9169 11.6195 7.98231 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 9.12507 4.09442 8.37865 8.90398 8.75685 8.71497 5.41945 11.858 5.79468 7.08526 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 8.43858 12.5468 9.0012 13.7665 7.52936 5.91213 8.55312 6.24356 5.12409 5.93616 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 8.43858 15.8008 9.5784 13.7665 7.52936 7.34094 8.55312 6.24356 9.67998 5.93616 numMergedOcc 0
