REMARK Name = BDB008233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.328 1.389 -0.129 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.145 1.075 0.424 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.546 0.030 -0.059 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.060 -0.759 -1.094 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -1.192 -0.475 -1.643 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.883 0.635 -1.156 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.751 -1.288 -2.711 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.139 -2.617 -2.592 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.605 -3.289 -3.713 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.882 -4.605 -3.279 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.628 -4.757 -1.972 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.384 -5.735 -4.095 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -2.726 -2.717 -4.930 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -2.362 -1.429 -4.945 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -2.217 -3.533 -1.575 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.954 -3.329 -0.169 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -1.894 -0.695 -3.920 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -1.694 3.441 1.231 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.074 2.482 0.311 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.954 2.694 -0.149 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -0.631 3.518 1.834 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -2.851 4.449 1.478 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -2.302 5.769 2.016 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.928 5.214 0.440 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.617 4.619 0.210 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.075 5.236 -0.402 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.795 -0.323 0.456 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.308 -1.081 0.018 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.453 0.269 1.512 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.066 1.167 2.244 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.810 -0.333 1.739 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.140 -1.388 0.918 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 5.362 -1.940 1.101 0.00 0.00 +0.117 A ATOM 34 C LIG 1 6.236 -1.479 2.057 0.00 0.00 +0.002 A ATOM 35 C LIG 1 7.604 -1.923 2.396 0.00 0.00 +0.197 C ATOM 36 O LIG 1 7.949 -1.164 3.579 0.00 0.00 -0.371 OA ATOM 37 C LIG 1 6.990 -0.098 3.785 0.00 0.00 +0.196 C ATOM 38 C LIG 1 5.875 -0.416 2.864 0.00 0.00 -0.013 A ATOM 39 C LIG 1 4.643 0.189 2.723 0.00 0.00 +0.039 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6