0 mol 4 unq 0 iso 0 dist 5.39008 12.7044 9.12428 6.10734 5.12621 8.24634 10.8791 10.1887 6.29581 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 5.39008 12.7044 9.12428 15.6929 14.8379 9.16617 10.8791 10.1887 6.29581 6.42755 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 14.1293 14.7042 9.24757 14.5882 13.0322 6.29906 8.87464 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.44695 12.6626 7.23812 21.4221 14.7042 9.24757 16.4359 13.0322 6.29906 8.87464 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.68894 9.64124 7.23812 17.6925 14.7042 9.24757 15.5076 13.0322 6.29906 8.87464 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.83234 4.6408 7.03536 12.988 11.1037 9.30539 6.63187 11.2586 4.57085 8.66165 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.26325 6.65856 6.42706 15.008 13.0193 9.36851 6.47522 9.51709 4.55551 9.73158 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 7.26325 6.65856 6.42706 11.0726 8.03693 4.97175 6.47522 9.51709 4.55551 7.59327 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 5.50879 10.9993 8.50926 8.32841 5.6621 9.00416 5.309 8.75305 10.8404 8.21184 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 5.50879 10.9993 8.50926 8.32841 5.6621 9.00416 6.07262 5.13522 5.18356 5.9976 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 6.69157 4.75264 8.50926 6.56065 5.6621 9.00416 11.9245 8.75305 10.8404 8.21184 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 6.69157 4.75264 8.50926 6.56065 5.6621 9.00416 6.25291 5.13522 5.18356 5.9976 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 8.24741 12.6212 9.30975 6.82883 4.66376 8.80683 4.97624 6.45143 7.92585 5.70795 numMergedOcc 0
13 mol 226 unq 1 iso 0 dist 8.24741 10.78 9.14028 6.82883 4.66376 6.11704 4.97624 6.45143 7.554 5.70795 numMergedOcc 0
14 mol 226 unq 2 iso 0 dist 5.07958 9.83787 9.30975 8.22518 4.66376 8.80683 5.55393 6.45143 7.92585 5.70795 numMergedOcc 0
15 mol 226 unq 3 iso 0 dist 5.07958 11.3247 9.14028 8.22518 4.66376 6.11704 5.55393 6.45143 7.554 5.70795 numMergedOcc 0
16 mol 226 unq 4 iso 0 dist 6.19519 6.6871 9.30975 6.02803 4.66376 8.80683 9.35407 6.45143 7.92585 5.70795 numMergedOcc 0
17 mol 226 unq 5 iso 0 dist 6.19519 6.19485 9.14028 6.02803 4.66376 6.11704 9.35407 6.45143 7.554 5.70795 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 6.2667 8.82711 9.21656 5.60146 4.89551 5.50492 6.44798 11.4714 7.6169 7.95359 numMergedOcc 0
19 mol 244 unq 1 iso 0 dist 6.2667 8.82711 9.21656 5.60146 4.89551 5.50492 11.4169 10.2667 5.17744 6.22122 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 5.76281 5.31774 9.42899 11.8112 11.0964 9.70714 13.0448 14.4126 8.66946 5.92274 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 7.85797 6.69098 9.37841 8.16005 4.73332 8.49177 5.63899 9.65597 4.60101 7.16346 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.76302 6.00593 8.41236 13.1145 11.7852 7.46394 14.6509 15.2385 11.1602 7.75216 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.11322 12.4287 8.41236 13.7102 11.7852 7.46394 12.0585 15.2385 11.1602 7.75216 numMergedOcc 0
