REMARK Name = BDB006439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.003 1.782 -1.292 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.688 0.556 -1.897 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.349 0.264 -2.241 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.287 -0.865 -2.845 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.640 -0.573 -2.944 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.841 0.686 -2.410 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.747 -1.409 -3.493 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.373 -2.123 -3.290 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.636 1.220 -1.982 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.330 2.458 -1.392 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.001 2.724 -1.057 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.229 1.073 -0.598 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.823 0.159 -0.451 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.401 2.129 -0.909 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.751 3.302 -0.850 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.590 1.282 -0.133 0.00 0.00 +0.101 C ATOM 17 C LIG 1 6.520 1.687 -1.282 0.00 0.00 +0.033 C BRANCH 16 20 ATOM 18 C LIG 1 6.580 -1.099 2.690 0.00 0.00 +0.120 A ATOM 19 C LIG 1 6.165 0.039 1.996 0.00 0.00 +0.051 A ATOM 20 C LIG 1 6.072 0.035 0.590 0.00 0.00 -0.024 A ATOM 21 C LIG 1 6.386 -1.145 -0.103 0.00 0.00 +0.006 A ATOM 22 C LIG 1 6.801 -2.283 0.587 0.00 0.00 +0.004 A ATOM 23 C LIG 1 6.898 -2.256 1.977 0.00 0.00 +0.045 A BRANCH 18 25 ATOM 24 C LIG 1 6.413 -0.057 4.821 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.710 -1.212 4.047 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.126 1.387 -2.356 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -4.036 0.873 -1.265 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.602 0.766 0.063 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.469 0.310 1.063 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.795 -0.040 0.770 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -6.228 0.085 -0.559 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.364 0.538 -1.562 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.704 -0.521 1.823 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.351 -1.605 2.644 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -7.213 -2.064 3.643 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.445 -1.445 3.840 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.815 -0.368 3.038 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.952 0.089 2.038 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 7