REMARK Name = BDB018992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.377 2.401 0.699 0.00 0.00 +0.062 A ATOM 2 C LIG 1 -3.229 1.664 0.263 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.497 0.288 0.408 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.556 -0.701 0.006 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -1.319 -0.215 -0.488 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -1.001 1.140 -0.593 0.00 0.00 +0.035 A ATOM 7 N LIG 1 -4.751 0.219 1.001 0.00 0.00 -0.349 N ATOM 8 C LIG 1 -5.448 -0.966 1.451 0.00 0.00 +0.149 C ATOM 9 C LIG 1 -1.968 2.075 -0.222 0.00 0.00 +0.034 A ATOM 10 C LIG 1 -5.276 1.472 1.173 0.00 0.00 +0.099 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 0.267 1.579 -1.071 0.00 0.00 -0.300 N ATOM 12 C LIG 1 1.517 1.000 -0.729 0.00 0.00 +0.038 A ATOM 13 C LIG 1 2.642 1.106 -1.565 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.860 0.507 -1.197 0.00 0.00 +0.014 A ATOM 15 C LIG 1 4.001 -0.169 0.022 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.901 -0.260 0.888 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.567 1.837 -2.878 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.409 2.819 -2.881 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.688 0.348 0.507 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.143 2.097 -2.448 0.00 0.00 +0.111 C BRANCH 15 21 ATOM 21 C LIG 1 5.289 -0.752 0.335 0.00 0.00 +0.020 A ATOM 22 C LIG 1 6.071 -0.400 1.414 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.203 -1.156 1.324 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.325 -1.151 2.231 0.00 0.00 +0.172 C ATOM 25 N LIG 1 7.218 -1.972 0.253 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 6.058 -1.713 -0.357 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.974 -0.975 2.213 0.00 0.00 +0.372 C ATOM 28 F LIG 1 3.560 -0.222 3.186 0.00 0.00 -0.204 F ATOM 29 F LIG 1 1.745 -1.311 2.709 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 6 11 BRANCH 4 30 ATOM 30 C LIG 1 -2.747 -2.212 0.104 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -2.381 -2.985 -1.181 0.00 0.00 +0.036 C ATOM 32 C LIG 1 -1.147 -3.855 -0.983 0.00 0.00 +0.160 C ATOM 33 O LIG 1 -1.323 -4.796 0.072 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -1.938 -4.287 1.255 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -1.996 -2.768 1.325 0.00 0.00 +0.036 C ENDBRANCH 4 30 BRANCH 1 39 ATOM 36 C LIG 1 -4.252 4.092 -1.751 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -4.364 4.577 -0.396 0.00 0.00 -0.314 N ATOM 38 H LIG 1 -4.567 5.559 -0.259 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -4.606 3.838 0.737 0.00 0.00 +0.246 C ATOM 40 O LIG 1 -5.039 4.407 1.737 0.00 0.00 -0.270 OA ENDBRANCH 1 39 TORSDOF 5