0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 13.7792 8.94096 17.0548 5.7531 7.12263 8.83742 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 15.4959 9.07858 15.5373 5.7531 7.12263 8.83742 12.9762 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 5.39241 8.62284 11.8884 6.58998 9.38831 8.24948 11.3767 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 6.77886 9.03564 10.5332 10.9467 5.86571 16.2662 10.1082 13.7148 7.06146 18.3983 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 4.99056 8.03035 9.57341 11.1324 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 4.99056 8.03035 9.57341 8.96522 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 3.78311 8.03035 9.57341 11.1324 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 3.78311 8.03035 9.57341 8.96522 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 5.44503 6.40901 7.46803 10.8441 5.73236 8.68663 7.12863 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 10.8441 13.3045 8.68663 16.532 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 7.63338 5.40637 8.4697 5.44503 9.40626 7.46803 10.8441 13.3045 8.68663 7.12863 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 10.8441 15.0441 8.68663 16.532 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 13.9336 9.47362 17.5983 6.55507 10.8148 9.82982 18.7074 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 7.72144 8.33439 14.4682 6.53652 6.28417 14.6576 6.55507 10.8148 9.82982 8.33921 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 5.16512 9.05835 7.32888 4.05428 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.83476 7.2793 6.38897 13.1933 7.94153 11.0523 6.87725 8.12349 8.31881 7.0016 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 8.69249 5.13453 8.91356 10.6484 12.5052 9.57955 16.9887 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 8.69249 5.13453 8.91356 4.76151 6.53728 9.87668 8.99405 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 6.6561 9.09424 5.94765 8.69249 5.13453 11.0655 10.6484 12.5052 8.79277 16.9887 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 6.6561 9.09424 5.94765 8.69249 5.13453 11.0655 4.76151 6.53728 8.42121 8.99405 numMergedOcc 0
20 mol 225 unq 4 iso 0 dist 6.6561 8.14831 11.2847 8.69249 5.13453 13.9144 6.18042 12.7403 8.69811 14.597 numMergedOcc 0
21 mol 225 unq 5 iso 0 dist 6.6561 8.14831 11.2847 8.69249 5.13453 13.9144 4.76151 6.53728 4.98402 8.99405 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 9.60993 9.20589 12.2075 10.5813 9.56257 9.43618 8.84427 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 13.3557 7.89801 11.5426 10.5813 9.56257 9.43618 5.95112 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.34702 9.20589 12.2075 7.22396 9.56257 9.43618 8.84427 numMergedOcc 0
25 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 8.8709 7.89801 11.5426 7.22396 9.56257 9.43618 5.95112 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 10.7551 9.89583 6.53286 18.0054 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 8.16326 9.42738 13.8261 6.84156 5.74568 6.02757 8.79843 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 12.3807 9.42738 13.8261 9.37297 5.74568 6.02757 8.79843 numMergedOcc 0
