REMARK Name = BDB038392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.065 0.269 1.350 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.827 -0.365 1.174 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.657 0.387 1.118 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.698 1.726 1.230 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.875 2.369 1.420 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.066 1.657 1.499 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.408 -0.241 0.930 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.811 0.431 0.816 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.093 1.614 0.820 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.845 -0.603 0.658 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.229 -1.849 0.676 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.978 -3.002 0.534 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.363 -2.872 0.375 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.991 -1.603 0.366 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.211 -0.446 0.504 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.240 -1.680 0.852 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.488 -1.499 0.174 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.830 -1.737 -1.226 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.451 -0.971 -1.782 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.273 -1.865 -1.466 0.00 0.00 +0.115 C BRANCH 20 21 ATOM 21 C LIG 1 8.179 -0.626 -1.201 0.00 0.00 +0.073 C ATOM 22 C LIG 1 9.606 -0.926 -1.678 0.00 0.00 +0.042 C ATOM 23 C LIG 1 7.661 0.634 -1.896 0.00 0.00 +0.042 C BRANCH 21 24 ATOM 24 O LIG 1 8.252 -0.352 0.203 0.00 0.00 -0.388 OA ATOM 25 H LIG 1 8.616 -1.139 0.642 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.404 -0.243 0.481 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -5.321 -0.507 1.362 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.466 -1.552 2.301 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.637 -2.307 2.372 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -7.686 -2.022 1.512 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -8.812 -2.742 1.583 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.583 -1.000 0.578 0.00 0.00 +0.050 A BRANCH 26 35 ATOM 33 C LIG 1 -4.565 -0.035 -2.075 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.551 0.905 -1.617 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.376 0.822 -0.522 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.175 1.874 -0.533 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -6.845 2.665 -1.608 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -5.868 2.070 -2.249 0.00 0.00 +0.225 A ENDBRANCH 26 35 ENDBRANCH 1 27 BRANCH 5 39 ATOM 39 C LIG 1 -2.862 3.872 1.549 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -2.123 4.703 0.524 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.621 4.729 0.560 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 9