REMARK Name = BDB015415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.388 1.263 -0.773 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -2.230 0.603 -0.170 0.00 0.00 +0.253 C ATOM 3 N LIG 1 -2.021 -0.114 1.010 0.00 0.00 -0.238 N ATOM 4 C LIG 1 -0.808 -0.421 1.636 0.00 0.00 +0.188 C ATOM 5 N LIG 1 -0.925 -0.882 2.850 0.00 0.00 -0.254 NA ATOM 6 C LIG 1 -2.359 -0.854 3.177 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -3.070 -0.589 1.871 0.00 0.00 +0.140 C ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 0.411 -0.249 1.028 0.00 0.00 -0.301 N ATOM 9 C LIG 1 0.686 -0.907 -0.260 0.00 0.00 +0.123 C ATOM 10 C LIG 1 1.842 -0.195 -0.990 0.00 0.00 +0.103 C ATOM 11 N LIG 1 3.097 -0.187 -0.185 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 2.780 0.478 1.109 0.00 0.00 +0.103 C ATOM 13 C LIG 1 1.618 -0.200 1.869 0.00 0.00 +0.123 C BRANCH 11 14 ATOM 14 C LIG 1 4.130 0.600 -0.900 0.00 0.00 +0.057 C ATOM 15 C LIG 1 4.690 -0.212 -2.103 0.00 0.00 +0.019 C ATOM 16 C LIG 1 5.745 -0.817 -1.161 0.00 0.00 +0.003 C ATOM 17 C LIG 1 5.521 0.393 -0.237 0.00 0.00 +0.019 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 2 18 ATOM 18 C LIG 1 -3.603 0.618 -0.723 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -4.225 -0.571 -1.120 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -5.514 -0.530 -1.651 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.171 0.694 -1.797 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.538 1.881 -1.423 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.249 1.846 -0.891 0.00 0.00 +0.013 A ENDBRANCH 2 18 TORSDOF 3