REMARK Name = BDB014009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.871 1.534 -1.665 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.440 1.687 -1.184 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -0.553 1.830 -2.037 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.160 1.680 0.185 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.095 1.730 1.291 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -3.419 2.218 1.245 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -4.203 2.203 2.435 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.724 1.722 3.646 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.436 1.238 3.703 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.180 2.815 0.084 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.647 1.246 2.549 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.595 2.815 -1.308 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.660 -0.186 -1.643 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.460 0.296 -1.179 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.858 -0.304 -0.623 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -5.361 0.424 -2.447 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.046 -1.564 -1.062 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.290 -2.653 -1.818 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -7.260 -1.030 -0.218 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -6.499 -1.806 -1.192 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -6.772 -1.492 -2.129 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.280 1.620 0.484 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 0.990 0.263 0.400 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.431 0.265 0.449 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.134 -0.961 0.337 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.540 -0.991 0.374 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.296 0.177 0.521 0.00 0.00 -0.042 A ATOM 28 C LIG 1 4.622 1.390 0.642 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.431 -2.155 0.179 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.042 -2.164 0.159 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.223 1.430 0.606 0.00 0.00 +0.009 A ATOM 32 C LIG 1 0.318 -0.977 0.303 0.00 0.00 +0.125 A BRANCH 32 33 ATOM 33 O LIG 1 -1.055 -1.025 0.297 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -1.592 -2.009 1.187 0.00 0.00 +0.277 C ENDBRANCH 32 33 BRANCH 27 35 ATOM 35 C LIG 1 6.807 0.125 0.564 0.00 0.00 +0.070 C BRANCH 35 36 ATOM 36 C LIG 1 7.450 -0.443 -0.683 0.00 0.00 -0.043 A ATOM 37 C LIG 1 8.246 -1.595 -0.611 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.847 -2.114 -1.759 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.662 -1.486 -2.989 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.877 -0.338 -3.073 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.276 0.183 -1.926 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8