REMARK Name = BDB049365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.990 -0.454 1.210 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.014 -1.441 1.432 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.660 -1.085 1.348 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.453 -1.864 1.522 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -1.490 -1.073 1.322 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -1.072 0.213 1.050 0.00 0.00 -0.326 N ATOM 7 C LIG 1 0.307 0.226 1.051 0.00 0.00 +0.069 A ATOM 8 C LIG 1 1.257 1.230 0.826 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.605 0.863 0.911 0.00 0.00 +0.010 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 6.232 -1.543 -0.172 0.00 0.00 +0.167 A ATOM 11 C LIG 1 7.389 -1.433 0.831 0.00 0.00 +0.220 A ATOM 12 O LIG 1 8.529 -1.393 0.402 0.00 0.00 -0.284 OA ATOM 13 C LIG 1 7.283 -1.327 2.340 0.00 0.00 +0.054 A ATOM 14 C LIG 1 6.184 -0.970 3.006 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.959 -0.719 2.527 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.434 -0.805 1.291 0.00 0.00 -0.014 A ATOM 17 C LIG 1 4.975 -1.187 0.121 0.00 0.00 +0.058 A BRANCH 10 19 ATOM 18 C LIG 1 7.193 -3.171 -1.565 0.00 0.00 +0.277 C ATOM 19 O LIG 1 6.505 -1.924 -1.485 0.00 0.00 -0.491 OA ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 6 20 ATOM 20 C LIG 1 -1.905 1.384 0.827 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 C LIG 1 -2.141 1.653 -0.666 0.00 0.00 +0.106 C BRANCH 21 22 ATOM 22 N LIG 1 -3.042 2.761 -1.003 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -4.441 2.570 -0.590 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -4.890 3.544 0.512 0.00 0.00 +0.175 C ATOM 25 O LIG 1 -4.713 4.924 0.169 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 -3.640 5.149 -0.757 0.00 0.00 +0.175 C ATOM 27 C LIG 1 -2.530 4.093 -0.648 0.00 0.00 +0.112 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 BRANCH 5 28 ATOM 28 C LIG 1 -2.916 -1.531 1.388 0.00 0.00 +0.079 C BRANCH 28 29 ATOM 29 C LIG 1 -3.208 -2.676 0.411 0.00 0.00 +0.043 C BRANCH 29 30 ATOM 30 C LIG 1 -3.264 -2.218 -1.028 0.00 0.00 -0.047 A ATOM 31 C LIG 1 -2.114 -2.257 -1.827 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -2.154 -1.805 -3.146 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.344 -1.310 -3.678 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.494 -1.268 -2.892 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.456 -1.718 -1.572 0.00 0.00 +0.003 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8