REMARK Name = BDB011485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.266 -1.243 0.335 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -1.985 -0.268 -0.610 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -3.120 -0.540 -1.019 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.341 0.935 -0.905 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.045 1.199 -0.627 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.067 0.238 -0.835 0.00 0.00 +0.051 A ATOM 7 C LIG 1 2.420 0.546 -0.526 0.00 0.00 +0.049 A ATOM 8 C LIG 1 2.734 1.805 -0.017 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.738 2.763 0.159 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.726 -1.324 -1.682 0.00 0.00 -0.119 S ATOM 11 C LIG 1 0.412 2.467 -0.154 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.295 -2.145 -0.421 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.058 -2.774 2.133 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.308 -2.025 1.010 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -3.224 -2.034 0.565 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.924 -2.863 2.602 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -3.277 -3.547 2.701 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.509 -2.660 2.886 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -2.785 -3.446 5.120 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -2.898 -4.285 3.931 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -1.975 -4.695 3.757 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 3.402 -0.446 -0.771 0.00 0.00 -0.284 N ATOM 23 H LIG 1 3.029 -1.301 -1.172 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.763 -0.395 -0.519 0.00 0.00 +0.222 C ATOM 25 O LIG 1 5.356 0.531 0.023 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 5.486 -1.661 -0.981 0.00 0.00 +0.089 C ATOM 27 C LIG 1 5.436 -1.776 -2.516 0.00 0.00 +0.093 C ATOM 28 N LIG 1 6.453 -2.657 -3.102 0.00 0.00 -0.315 NA ATOM 29 H LIG 1 6.090 -3.106 -3.942 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 6.952 -3.648 -2.159 0.00 0.00 +0.081 C ATOM 31 C LIG 1 7.650 -2.971 -0.978 0.00 0.00 +0.016 C ATOM 32 C LIG 1 6.938 -1.700 -0.501 0.00 0.00 +0.015 C ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 33 ATOM 33 C LIG 1 -2.125 1.972 -1.591 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -2.962 2.895 -0.712 0.00 0.00 -0.022 A ATOM 35 C LIG 1 -3.606 4.035 -1.288 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -4.373 4.888 -0.451 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -5.009 6.021 -0.987 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -4.907 6.328 -2.341 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.170 5.504 -3.179 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.501 4.601 0.913 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -3.890 3.482 1.466 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -3.531 4.375 -2.660 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -3.132 2.637 0.662 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7