REMARK Name = BDB031884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.244 0.281 2.169 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.852 1.296 1.274 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.532 1.308 0.808 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.422 0.380 1.198 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.616 0.750 0.496 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.405 1.833 -0.257 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.046 -0.622 2.111 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.118 2.138 -0.059 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.262 2.937 -0.552 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.277 -0.651 2.583 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.166 -0.934 -1.912 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.927 -0.915 -0.530 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.799 -0.233 0.305 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.850 -0.013 1.791 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.659 0.231 2.696 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.118 0.784 1.999 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.672 1.000 0.750 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.533 1.506 0.617 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.548 1.158 3.077 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.422 -1.077 2.760 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.913 0.405 -0.260 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.183 0.405 -1.612 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.289 -0.276 -2.445 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.377 -1.633 -4.048 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.236 -1.634 -2.633 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.766 0.055 0.647 0.00 0.00 -0.280 N ATOM 27 H LIG 1 2.770 -0.771 1.233 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.996 0.147 -0.046 0.00 0.00 +0.167 A ATOM 29 C LIG 1 5.061 -0.652 0.416 0.00 0.00 +0.162 A ATOM 30 C LIG 1 6.295 -0.563 -0.230 0.00 0.00 +0.079 A ATOM 31 C LIG 1 6.472 0.297 -1.299 0.00 0.00 +0.093 A ATOM 32 C LIG 1 5.355 1.059 -1.690 0.00 0.00 +0.092 A ATOM 33 C LIG 1 5.535 1.922 -2.759 0.00 0.00 +0.031 A ATOM 34 C LIG 1 6.766 2.016 -3.404 0.00 0.00 +0.022 A ATOM 35 C LIG 1 7.798 1.223 -2.944 0.00 0.00 +0.111 A ATOM 36 N LIG 1 7.676 0.367 -1.908 0.00 0.00 -0.253 NA ATOM 37 N LIG 1 4.156 0.989 -1.088 0.00 0.00 -0.227 NA BRANCH 29 38 ATOM 38 O LIG 1 4.781 -1.482 1.477 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 5.869 -2.225 2.017 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5