REMARK Name = BDB018999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.163 -1.205 -1.051 0.00 0.00 -0.300 N ATOM 2 C LIG 1 -1.371 -0.571 -0.661 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -2.620 -0.975 -1.164 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -3.797 -0.325 -0.750 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.757 0.764 0.131 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -2.519 1.210 0.614 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -2.733 -2.122 -2.132 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.415 -2.354 -2.848 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -1.348 0.545 0.197 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.302 -2.459 -1.817 0.00 0.00 +0.111 C ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 6.649 2.490 -0.375 0.00 0.00 +0.109 C ATOM 12 C LIG 1 5.779 1.462 -1.057 0.00 0.00 +0.213 C ATOM 13 N LIG 1 5.607 0.250 -0.401 0.00 0.00 -0.294 N ATOM 14 C LIG 1 4.752 -0.761 -1.008 0.00 0.00 +0.146 C ATOM 15 C LIG 1 3.495 -1.022 -0.215 0.00 0.00 +0.013 A ATOM 16 C LIG 1 3.464 -1.290 1.161 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.234 -1.509 1.796 0.00 0.00 +0.048 A ATOM 18 C LIG 1 1.035 -1.484 1.084 0.00 0.00 +0.027 A ATOM 19 C LIG 1 1.037 -1.228 -0.288 0.00 0.00 +0.034 A ATOM 20 O LIG 1 4.518 -1.339 2.030 0.00 0.00 -0.490 OA ATOM 21 C LIG 1 5.837 -1.397 1.498 0.00 0.00 +0.248 C ATOM 22 C LIG 1 2.270 -1.004 -0.919 0.00 0.00 +0.032 A ATOM 23 C LIG 1 6.261 -0.072 0.868 0.00 0.00 +0.149 C ATOM 24 O LIG 1 5.265 1.716 -2.146 0.00 0.00 -0.276 OA ENDBRANCH 1 19 BRANCH 5 25 ATOM 25 C LIG 1 -5.005 1.398 0.504 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -6.035 0.757 1.158 0.00 0.00 +0.116 A ATOM 27 N LIG 1 -7.016 1.691 1.324 0.00 0.00 -0.274 N ATOM 28 C LIG 1 -8.299 1.504 1.958 0.00 0.00 +0.172 C ATOM 29 N LIG 1 -6.695 2.899 0.827 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -5.473 2.716 0.317 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 -2.400 2.384 1.552 0.00 0.00 +0.372 C ATOM 32 F LIG 1 -1.180 2.469 2.162 0.00 0.00 -0.204 F ATOM 33 F LIG 1 -2.570 3.577 0.916 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 3