REMARK Name = BDB056124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.923 -0.364 -0.160 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.089 -1.490 -0.451 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.744 -1.416 -0.753 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.475 -1.691 -1.692 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.603 -0.852 0.469 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.917 -2.394 -1.392 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -5.314 -3.868 0.010 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -5.176 -2.702 -0.715 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -5.663 -1.888 -0.359 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -4.509 -4.795 -0.085 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -6.610 -3.973 0.863 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -6.900 -2.728 1.701 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -5.716 -5.155 2.838 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -6.593 -5.219 1.673 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -6.231 -5.957 1.059 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -4.136 -1.722 -2.767 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -4.806 -2.692 -3.745 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -4.942 -0.421 -2.688 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.025 0.841 -1.117 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -1.071 2.066 -0.496 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -0.927 2.124 0.504 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.040 0.698 -2.339 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -1.068 3.314 -1.244 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -1.827 4.420 -0.533 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -1.618 5.744 -0.971 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -2.324 6.801 -0.386 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.242 6.550 0.632 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.475 5.243 1.052 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -0.679 5.982 -2.124 0.00 0.00 +0.035 C ATOM 30 C LIG 1 0.604 5.178 -1.954 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -2.783 4.182 0.465 0.00 0.00 +0.006 A ATOM 32 C LIG 1 0.392 3.722 -1.522 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 0.531 -0.835 -0.034 0.00 0.00 +0.032 C BRANCH 33 34 ATOM 34 C LIG 1 1.406 0.142 0.758 0.00 0.00 +0.004 C BRANCH 34 35 ATOM 35 C LIG 1 2.814 -0.392 1.035 0.00 0.00 +0.019 C BRANCH 35 36 ATOM 36 C LIG 1 3.647 -0.587 -0.232 0.00 0.00 +0.107 C BRANCH 36 37 ATOM 37 N LIG 1 5.006 -0.956 0.082 0.00 0.00 -0.281 N ATOM 38 H LIG 1 5.264 -1.927 0.200 0.00 0.00 +0.152 HD ATOM 39 C LIG 1 5.971 -0.044 0.381 0.00 0.00 +0.401 C ATOM 40 O LIG 1 5.827 1.169 0.373 0.00 0.00 -0.226 OA BRANCH 39 41 ATOM 41 O LIG 1 7.112 -0.697 0.695 0.00 0.00 -0.446 OA BRANCH 41 42 ATOM 42 C LIG 1 8.198 0.174 1.021 0.00 0.00 +0.269 C BRANCH 42 43 ATOM 43 C LIG 1 9.398 -0.678 1.346 0.00 0.00 -0.010 A ATOM 44 C LIG 1 9.800 -0.874 2.675 0.00 0.00 +0.007 A ATOM 45 C LIG 1 10.906 -1.672 2.969 0.00 0.00 +0.000 A ATOM 46 C LIG 1 11.617 -2.287 1.940 0.00 0.00 +0.000 A ATOM 47 C LIG 1 11.221 -2.108 0.616 0.00 0.00 +0.000 A ATOM 48 C LIG 1 10.116 -1.309 0.320 0.00 0.00 +0.007 A ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 16