REMARK Name = BDB011535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.359 -1.028 0.130 0.00 0.00 +0.197 C ATOM 2 C LIG 1 2.155 -0.497 0.884 0.00 0.00 +0.244 C ATOM 3 O LIG 1 2.248 0.605 1.446 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.978 -1.244 0.908 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.767 -2.540 0.286 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.765 -3.458 -0.103 0.00 0.00 +0.142 A ATOM 7 C LIG 1 1.416 -4.673 -0.735 0.00 0.00 +0.047 A ATOM 8 C LIG 1 0.096 -5.022 -0.980 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.903 -4.152 -0.593 0.00 0.00 +0.002 A ATOM 10 O LIG 1 3.122 -3.410 0.047 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -0.568 -2.942 0.028 0.00 0.00 +0.027 A ATOM 12 C LIG 1 3.696 -2.350 0.784 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.557 -0.073 -0.533 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.434 -0.039 0.258 0.00 0.00 -0.300 N ATOM 15 H LIG 1 4.225 0.772 0.835 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 5.775 -1.010 -1.300 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.556 1.096 -0.320 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.890 2.471 -0.382 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.422 1.363 -2.618 0.00 0.00 +0.101 C ATOM 20 N LIG 1 7.712 0.967 -1.244 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 7.962 -0.027 -1.260 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.128 -0.631 1.672 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.130 0.184 0.868 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -2.507 0.236 1.222 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -3.259 -0.330 2.289 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -4.572 0.064 2.151 0.00 0.00 +0.126 A ATOM 27 N LIG 1 -4.680 0.813 0.997 0.00 0.00 -0.299 N ATOM 28 C LIG 1 -3.407 0.980 0.448 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -2.969 1.757 -0.638 0.00 0.00 +0.027 A ATOM 30 C LIG 1 -1.615 1.736 -0.962 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.717 0.967 -0.229 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 -5.883 1.367 0.476 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -6.303 1.098 -0.840 0.00 0.00 +0.076 A ATOM 34 C LIG 1 -7.484 1.693 -1.310 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -8.238 2.528 -0.483 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.827 2.770 0.825 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.654 2.190 1.311 0.00 0.00 +0.027 A BRANCH 33 38 ATOM 38 C LIG 1 -5.634 0.161 -1.699 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -5.114 -0.606 -2.398 0.00 0.00 -0.191 NA ENDBRANCH 33 38 ENDBRANCH 27 32 BRANCH 26 40 ATOM 40 C LIG 1 -5.648 -0.308 3.006 0.00 0.00 +0.118 C ATOM 41 N LIG 1 -6.524 -0.601 3.707 0.00 0.00 -0.189 NA ENDBRANCH 26 40 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8