0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 10.5544 12.2274 8.05213 8.73067 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.97635 6.76462 6.83299 4.38047 4.29856 6.14538 8.98505 5.02241 5.06052 6.30987 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 10.3974 16.3613 13.9007 7.6481 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 5.84625 9.95364 8.80614 9.80755 11.5023 6.47744 9.11258 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 10.3974 12.7237 13.9007 7.6481 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 4.88613 5.40367 6.35756 5.84625 5.49591 8.80614 9.80755 8.89374 6.47744 9.11258 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 16.2055 9.64444 6.73347 10.4897 6.71911 5.33688 9.2902 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 6.23138 6.21578 9.97159 6.84612 8.68586 5.3948 9.32552 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 9.54477 6.56633 9.24757 4.31731 4.65521 7.41074 7.10439 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.9995 7.06961 6.7117 12.8333 10.417 8.70415 6.0129 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 10.9995 7.06961 4.47349 12.8333 10.417 10.0962 6.0129 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 4.50572 6.88489 5.08437 11.1541 7.06961 6.7117 14.3306 10.417 8.70415 6.0129 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.50572 9.82583 6.10456 11.1541 7.06961 4.47349 14.3306 10.417 10.0962 6.0129 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 8.97111 6.0268 6.30546 4.56139 7.75534 7.01257 7.36017 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.6954 14.2045 8.70296 9.94481 14.3377 7.90484 9.2235 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.86531 6.26797 7.11802 14.2733 16.0138 9.22232 16.225 16.3407 12.0863 8.21165 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.86531 6.26797 7.11802 6.42904 5.92062 9.22661 5.80615 7.92688 4.68409 6.51868 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.86531 6.26797 7.11802 10.0298 6.61891 7.56378 5.80615 7.92688 4.68409 7.34698 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.1527 4.57832 6.23142 12.5574 11.2292 5.3585 8.55616 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 12.1527 4.57832 6.23142 6.27009 8.79571 5.41704 8.73604 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 12.1527 4.57832 9.94764 12.5574 11.2292 6.74887 8.55616 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 12.1527 4.57832 9.94764 6.27009 8.79571 6.17103 8.73604 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 12.1527 5.29786 6.23142 12.5574 10.9613 5.3585 8.55616 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 9.60411 10.5108 6.37586 12.1527 5.29786 6.23142 6.27009 5.42582 5.41704 8.73604 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 9.60411 6.20443 9.71307 12.1527 5.29786 9.94764 12.5574 10.9613 6.74887 8.55616 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 9.60411 6.20443 9.71307 12.1527 5.29786 9.94764 6.27009 5.42582 6.17103 8.73604 numMergedOcc 0
26 mol 134 unq 8 iso 0 dist 9.55556 11.9294 8.94367 11.9876 4.57832 6.23142 11.5532 11.2292 5.3585 8.55616 numMergedOcc 0
27 mol 134 unq 9 iso 0 dist 9.55556 11.9294 8.94367 11.9876 4.57832 6.23142 10.2625 8.79571 5.41704 8.73604 numMergedOcc 0
28 mol 134 unq 10 iso 0 dist 9.55556 6.36794 9.86662 11.9876 4.57832 9.94764 11.5532 11.2292 6.74887 8.55616 numMergedOcc 0
29 mol 134 unq 11 iso 0 dist 9.55556 6.36794 9.86662 11.9876 4.57832 9.94764 10.2625 8.79571 6.17103 8.73604 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 15.1236 13.0123 9.67741 14.8219 15.1367 6.36909 7.80054 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 11.14 7.98142 9.60512 5.97685 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 10.9006 7.37327 13.3389 8.9289 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 10.8785 7.60081 9.55668 5.52698 8.21247 4.65302 7.95766 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 20.4128 14.7883 9.24557 22.4525 14.1514 11.0401 8.90076 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.94315 12.521 5.72887 20.4128 14.7883 9.24557 19.7776 13.9989 8.85181 6.87131 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 9.94315 12.521 5.72887 20.4128 14.7883 9.24557 24.0044 16.5748 11.9142 8.09718 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 8.59074 9.18011 5.72887 16.6167 14.7883 9.24557 19.9607 14.1514 11.0401 8.90076 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 8.59074 9.18011 5.72887 16.6167 14.7883 9.24557 15.1836 13.9989 8.85181 6.87131 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 8.59074 9.18011 5.72887 16.6167 14.7883 9.24557 19.7612 16.5748 11.9142 8.09718 numMergedOcc 0
40 mol 238 unq 6 iso 0 dist 6.2365 4.7157 5.72887 12.6054 14.7883 9.24557 15.5551 14.1514 11.0401 8.90076 numMergedOcc 0
41 mol 238 unq 7 iso 0 dist 6.2365 4.7157 5.72887 12.6054 14.7883 9.24557 9.91225 13.9989 8.85181 6.87131 numMergedOcc 0
42 mol 238 unq 8 iso 0 dist 6.2365 4.7157 5.72887 12.6054 14.7883 9.24557 14.0085 16.5748 11.9142 8.09718 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 13.1095 8.41846 7.98231 16.7189 10.9591 11.6195 8.71497 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 13.7665 7.52936 5.93616 12.5468 9.0012 5.12409 5.91213 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 8.43858 8.55312 6.24356 13.7665 7.52936 5.93616 15.8008 9.5784 9.67998 7.34094 numMergedOcc 0
