0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 10.789 9.55056 14.144 12.2041 7.88043 5.99459 12.2708 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 12.2041 7.88043 5.99459 6.06176 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.88043 5.99459 8.0744 12.2708 9.55056 14.144 12.2041 5.72491 9.67164 10.789 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 12.2041 5.72491 9.67164 10.515 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.80762 5.99459 11.7002 12.2708 7.57354 14.144 12.2041 9.67579 9.67164 10.789 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 12.2041 9.67579 9.67164 10.515 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 13.7792 8.94096 17.0548 10.9495 10.6335 9.01112 19.0615 numMergedOcc 0
7 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 13.7792 8.94096 17.0548 8.09332 11.7258 7.62333 20.184 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 6.82379 6.56356 8.64248 15.4959 9.07858 15.5373 10.9495 10.6335 9.01112 12.9498 numMergedOcc 0
9 mol 8 unq 3 iso 0 dist 6.82379 6.56356 8.64248 15.4959 9.07858 15.5373 8.09332 11.7258 7.62333 17.4051 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.6492 9.49421 11.7199 4.70708 8.5404 8.53931 10.9391 16.357 9.48085 12.1492 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 11.7126 9.9928 12.9982 7.69052 10.9734 6.39384 10.8292 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 10.9871 14.6439 8.95212 10.3457 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 4.85907 8.56342 7.64052 10.0197 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 10.9871 14.6439 8.95212 16.7975 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 4.85907 8.56342 7.64052 10.6679 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 9.93257 14.6439 8.95212 10.3457 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 4.85907 7.99857 6.99446 6.35763 numMergedOcc 0
18 mol 119 unq 6 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 9.93257 14.6439 8.95212 16.7975 numMergedOcc 0
19 mol 119 unq 7 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 4.85907 7.99857 6.99446 7.36192 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 10.5203 9.59034 12.8056 6.83796 12.9252 9.3498 12.7721 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 6.05563 6.86795 11.2108 4.72474 5.76954 7.33709 9.68444 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 6.05563 6.86795 11.2108 6.17651 9.20961 6.67404 11.4148 numMergedOcc 0
23 mol 218 unq 2 iso 0 dist 6.29367 8.75536 6.57708 8.36122 6.61099 12.5343 4.72474 5.76954 7.33709 7.47048 numMergedOcc 0
24 mol 218 unq 3 iso 0 dist 6.29367 8.75536 6.57708 8.36122 6.61099 12.5343 6.17651 9.20961 6.67404 12.7963 numMergedOcc 0
25 mol 218 unq 4 iso 0 dist 8.06216 7.33709 7.4492 7.47048 9.67381 12.5343 4.72474 11.565 8.75536 8.36122 numMergedOcc 0
26 mol 218 unq 5 iso 0 dist 8.06216 7.33709 7.4492 7.47048 9.67381 12.5343 5.61978 11.5105 6.67404 12.7963 numMergedOcc 0
27 mol 218 unq 6 iso 0 dist 5.76954 7.33709 6.57708 9.68444 6.86795 11.2108 4.72474 6.29367 8.75536 6.05563 numMergedOcc 0
28 mol 218 unq 7 iso 0 dist 5.76954 7.33709 6.57708 9.68444 6.86795 11.2108 5.61978 9.20961 6.67404 11.4148 numMergedOcc 0
29 mol 218 unq 8 iso 0 dist 5.76954 7.33709 6.57708 7.47048 6.61099 12.5343 4.72474 6.29367 8.75536 8.36122 numMergedOcc 0
30 mol 218 unq 9 iso 0 dist 5.76954 7.33709 6.57708 7.47048 6.61099 12.5343 5.61978 9.20961 6.67404 12.7963 numMergedOcc 0
31 mol 218 unq 10 iso 0 dist 9.20961 6.67404 6.57708 11.4148 6.86795 11.2108 6.17651 6.29367 8.75536 6.05563 numMergedOcc 0
32 mol 218 unq 11 iso 0 dist 9.20961 6.67404 6.57708 11.4148 6.86795 11.2108 5.61978 5.76954 7.33709 9.68444 numMergedOcc 0
33 mol 218 unq 12 iso 0 dist 9.20961 6.67404 6.57708 12.7963 6.61099 12.5343 6.17651 6.29367 8.75536 8.36122 numMergedOcc 0
34 mol 218 unq 13 iso 0 dist 9.20961 6.67404 6.57708 12.7963 6.61099 12.5343 5.61978 5.76954 7.33709 7.47048 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 8.69249 5.13453 8.91356 13.3965 11.5332 8.1945 10.7506 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 9.60993 9.20589 12.2075 5.22356 5.4694 6.91318 5.34702 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 13.3557 7.89801 11.5426 5.22356 5.4694 6.91318 8.8709 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.34702 9.20589 12.2075 5.22356 8.38865 5.23634 9.60993 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 8.8709 7.89801 11.5426 5.22356 8.38865 5.23634 13.3557 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 15.7907 17.2012 9.12776 22.6271 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 5.52379 6.99888 5.63944 11.6239 7.61203 9.99105 10.1813 11.9624 9.08509 12.6986 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 5.52379 6.99888 5.63944 13.9614 9.47845 13.7042 10.1813 11.9624 9.08509 17.6075 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 5.52379 6.99888 5.63944 12.3042 6.92409 10.8123 10.1813 11.9624 9.08509 17.0242 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 10.1813 11.9624 9.08509 5.17471 numMergedOcc 0
45 mol 238 unq 5 iso 0 dist 5.64181 9.08509 6.94907 10.4664 8.6597 14.4363 10.1813 11.589 6.99888 17.2608 numMergedOcc 0
46 mol 238 unq 6 iso 0 dist 5.64181 9.08509 6.94907 11.2717 7.47235 10.529 10.1813 11.589 6.99888 14.2685 numMergedOcc 0
47 mol 238 unq 7 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 10.1813 11.589 6.99888 5.54325 numMergedOcc 0
48 mol 238 unq 8 iso 0 dist 5.64181 9.08509 6.94907 5.03393 5.91208 7.06768 10.1813 11.589 6.99888 10.0613 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 9.98105 8.59697 6.9899 5.31048 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 5.79468 6.39918 9.43105 6.96053 10.5803 9.46361 11.6195 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 9.98105 8.55558 5.85442 5.79468 numMergedOcc 0
52 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 8.16326 9.42738 13.8261 4.92077 6.14323 8.29262 12.3807 numMergedOcc 0
53 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 12.3807 9.42738 13.8261 4.92077 6.04162 9.19754 8.16326 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 9.92201 7.25677 15.7984 7.69449 11.5506 5.46926 10.7534 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 6.57903 9.57499 14.6871 9.92201 7.25677 15.7984 11.8268 12.7237 8.9682 12.6113 numMergedOcc 0
