REMARK Name = BDB001576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.118 2.470 -0.062 0.00 0.00 +0.164 C ATOM 2 C LIG 1 2.882 2.780 -1.358 0.00 0.00 +0.042 C ATOM 3 C LIG 1 3.207 1.537 -2.211 0.00 0.00 +0.009 C ATOM 4 C LIG 1 2.067 0.538 -2.405 0.00 0.00 +0.023 C ATOM 5 C LIG 1 0.703 1.199 -2.524 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.320 0.253 -3.169 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -1.653 0.769 -2.642 0.00 0.00 +0.034 C ATOM 8 C LIG 1 -1.318 1.149 -1.203 0.00 0.00 +0.162 C ATOM 9 N LIG 1 0.086 1.556 -1.248 0.00 0.00 -0.285 N ATOM 10 C LIG 1 0.595 2.287 -0.199 0.00 0.00 +0.237 C ATOM 11 O LIG 1 -0.151 2.661 0.715 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 3.485 1.422 1.741 0.00 0.00 +0.230 C ATOM 13 N LIG 1 2.638 1.323 0.665 0.00 0.00 -0.302 N ATOM 14 H LIG 1 2.214 0.404 0.532 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.020 2.472 2.085 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 3.741 0.077 2.456 0.00 0.00 +0.137 C BRANCH 16 17 ATOM 17 N LIG 1 2.794 -0.963 1.985 0.00 0.00 -0.320 NA ATOM 18 H LIG 1 1.848 -0.708 2.281 0.00 0.00 +0.119 HD ATOM 19 H LIG 1 2.999 -1.839 2.466 0.00 0.00 +0.119 HD ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 5.593 -0.678 0.834 0.00 0.00 +0.006 C ATOM 21 C LIG 1 5.198 -0.367 2.273 0.00 0.00 +0.024 C ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 8 22 ATOM 22 C LIG 1 -1.498 -0.054 -0.247 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -2.816 -0.349 0.027 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -3.547 0.282 -0.268 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -0.558 -0.709 0.201 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.192 -1.427 0.927 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -3.364 -2.758 0.199 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -3.182 -3.956 0.912 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.349 -5.194 0.288 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.705 -5.254 -1.057 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.897 -4.078 -1.778 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.731 -2.839 -1.156 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -4.402 -0.981 1.743 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -5.722 -1.318 1.402 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -6.797 -0.853 2.163 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.573 -0.033 3.266 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.272 0.326 3.610 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.196 -0.140 2.852 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 8 22 BRANCH 2 39 ATOM 39 C LIG 1 4.182 3.548 -1.038 0.00 0.00 +0.187 C BRANCH 39 40 ATOM 40 N LIG 1 4.745 4.083 -2.288 0.00 0.00 -0.110 NA ATOM 41 N LIG 1 5.859 4.626 -2.178 0.00 0.00 -0.167 NA ATOM 42 N LIG 1 6.879 5.124 -2.083 0.00 0.00 +0.068 NA ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 10