REMARK Name = BDB031842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.333 2.405 1.043 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.571 2.373 -0.140 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.317 1.753 -0.114 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.232 1.194 1.031 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.495 0.659 0.619 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.710 0.895 -0.679 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.504 1.262 2.228 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.613 1.540 -1.091 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.557 1.810 -2.066 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.770 1.867 2.213 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.168 -0.840 -1.703 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.063 0.063 -0.638 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.758 1.264 -0.702 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.853 2.449 0.220 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.717 3.017 1.048 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.812 3.384 -0.482 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.181 2.772 -1.667 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.823 3.193 -2.321 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.174 4.469 -0.061 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.873 2.294 1.713 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.572 1.524 -1.815 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.720 0.648 -2.867 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.002 -0.548 -2.800 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.460 -2.261 -0.861 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.517 -2.042 -1.790 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.323 0.039 1.491 0.00 0.00 -0.279 N ATOM 27 H LIG 1 2.045 -0.044 2.460 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.410 -0.835 1.234 0.00 0.00 +0.171 A ATOM 29 C LIG 1 4.253 -1.147 2.301 0.00 0.00 +0.178 A ATOM 30 C LIG 1 5.318 -1.960 1.989 0.00 0.00 +0.163 A ATOM 31 N LIG 1 5.564 -2.437 0.753 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 4.700 -2.095 -0.215 0.00 0.00 +0.220 A ATOM 33 N LIG 1 3.634 -1.312 -0.004 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 4.921 -2.581 -1.507 0.00 0.00 -0.294 N ATOM 35 C LIG 1 6.202 -2.876 -2.064 0.00 0.00 +0.146 C ATOM 36 C LIG 1 5.577 -2.667 -3.452 0.00 0.00 +0.200 C ATOM 37 F LIG 1 5.237 -3.789 -4.134 0.00 0.00 -0.242 F ATOM 38 C LIG 1 4.444 -1.952 -2.700 0.00 0.00 +0.146 C ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 3.936 -0.644 3.533 0.00 0.00 -0.490 OA ATOM 40 C LIG 1 4.873 -0.886 4.578 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6