REMARK Name = BDB020179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 -0.134 -1.141 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.607 -1.162 -1.235 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.884 -1.012 -0.679 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.206 0.203 -0.050 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.275 1.251 0.045 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.000 1.073 -0.512 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.868 -2.099 -0.757 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -4.161 -2.938 0.344 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -5.132 -3.947 0.200 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -5.785 -4.128 -1.014 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -6.701 -5.097 -1.131 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -5.498 -3.322 -2.104 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.545 -2.312 -1.976 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -3.466 -2.778 1.676 0.00 0.00 +0.372 C ATOM 15 F LIG 1 -2.107 -2.774 1.577 0.00 0.00 -0.204 F ATOM 16 F LIG 1 -3.805 -1.625 2.315 0.00 0.00 -0.204 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.729 0.270 -1.096 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.578 0.524 -0.130 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 0.679 -0.347 -1.743 0.00 0.00 +0.245 C ATOM 20 O LIG 1 0.801 -1.061 -2.730 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.104 0.021 -1.496 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 7.215 -1.123 1.209 0.00 0.00 +0.047 C ATOM 23 C LIG 1 6.068 -0.202 0.923 0.00 0.00 -0.015 A ATOM 24 C LIG 1 5.930 0.992 1.631 0.00 0.00 +0.126 A ATOM 25 F LIG 1 6.811 1.306 2.591 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.892 1.876 1.358 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.970 1.573 0.356 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.081 0.383 -0.384 0.00 0.00 -0.027 A ATOM 29 C LIG 1 5.146 -0.492 -0.092 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 3.392 0.697 -2.820 0.00 0.00 +0.014 C ATOM 31 C LIG 1 4.621 1.528 -3.127 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.276 2.193 -3.021 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -2.648 2.559 0.710 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 -3.056 2.366 2.084 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -4.351 2.387 2.559 0.00 0.00 +0.296 A ATOM 36 N LIG 1 -5.466 2.599 1.959 0.00 0.00 -0.250 NA ATOM 37 H LIG 1 -5.308 2.774 0.969 0.00 0.00 +0.191 HD ATOM 38 O LIG 1 -4.368 2.125 3.925 0.00 0.00 -0.431 OA ATOM 39 C LIG 1 -3.009 1.935 4.192 0.00 0.00 +0.217 A ATOM 40 C LIG 1 -2.228 2.072 3.129 0.00 0.00 +0.129 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8