REMARK Name = BDB011735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.905 2.412 3.441 0.00 0.00 +0.129 C ATOM 2 N LIG 1 2.356 2.236 2.119 0.00 0.00 -0.302 N ATOM 3 H LIG 1 2.829 1.516 1.578 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 0.999 2.387 1.922 0.00 0.00 +0.306 C ATOM 5 N LIG 1 0.555 2.184 0.605 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -0.822 2.327 0.248 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -1.509 1.490 -0.678 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -2.813 1.922 -1.032 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -3.449 3.035 -0.472 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.789 3.794 0.466 0.00 0.00 +0.002 A ATOM 11 N LIG 1 -1.032 0.234 -1.276 0.00 0.00 -0.264 N ATOM 12 C LIG 1 0.286 -0.209 -1.426 0.00 0.00 +0.242 C ATOM 13 O LIG 1 0.576 -1.089 -2.257 0.00 0.00 -0.273 OA ATOM 14 C LIG 1 1.415 0.273 -0.530 0.00 0.00 +0.177 C ATOM 15 C LIG 1 -1.487 3.450 0.806 0.00 0.00 +0.025 A ATOM 16 C LIG 1 1.429 1.775 -0.478 0.00 0.00 +0.147 C ATOM 17 O LIG 1 0.268 2.684 2.865 0.00 0.00 -0.252 OA ENDROOT BRANCH 14 18 ATOM 18 N LIG 1 2.672 -0.281 -1.055 0.00 0.00 -0.301 N ATOM 19 H LIG 1 2.561 -0.931 -1.830 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 3.812 -0.319 -0.290 0.00 0.00 +0.230 C ATOM 21 O LIG 1 3.881 0.294 0.777 0.00 0.00 -0.274 OA BRANCH 20 22 ATOM 22 C LIG 1 5.015 -1.083 -0.905 0.00 0.00 +0.137 C ATOM 23 C LIG 1 4.643 -2.516 -1.277 0.00 0.00 +0.034 C BRANCH 22 24 ATOM 24 N LIG 1 6.110 -1.113 0.089 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 5.998 -0.304 0.710 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 7.422 -1.058 -0.538 0.00 0.00 +0.101 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 14 18 BRANCH 11 27 ATOM 27 C LIG 1 -2.014 -0.665 -1.947 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 -3.246 -1.125 -1.153 0.00 0.00 -0.019 A ATOM 29 C LIG 1 -3.159 -1.574 0.209 0.00 0.00 -0.013 A ATOM 30 C LIG 1 -4.355 -1.893 0.903 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.320 -2.295 2.250 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -3.115 -2.416 2.934 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -1.928 -2.150 2.271 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.587 -1.824 0.250 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -5.661 -1.483 -1.095 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -1.953 -1.747 0.932 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -4.507 -1.158 -1.815 0.00 0.00 -0.045 A ATOM 38 C LIG 1 -4.669 -0.840 -3.281 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 11 27 TORSDOF 5