REMARK Name = BDB035670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.172 1.625 -0.559 0.00 0.00 +0.003 A ATOM 2 C LIG 1 -2.875 1.101 -0.364 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.718 1.887 -0.508 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.886 3.230 -0.859 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.159 3.772 -1.058 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.293 2.977 -0.908 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.430 1.317 -0.315 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.796 1.990 -0.358 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.066 3.164 -0.531 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.843 0.984 -0.140 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.236 -0.253 0.031 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.013 -1.377 0.224 0.00 0.00 +0.047 A ATOM 13 C LIG 1 3.406 -1.237 0.247 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.022 0.030 0.091 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 1.300 -2.929 0.420 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.217 1.158 -0.116 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.243 -0.104 -0.044 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 5.533 0.160 0.084 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.128 -0.582 1.194 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.800 -0.160 2.063 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.580 -0.815 1.164 0.00 0.00 +0.017 C ATOM 22 C LIG 1 7.968 -1.752 -0.010 0.00 0.00 +0.022 C ATOM 23 C LIG 1 9.175 -0.821 -0.266 0.00 0.00 +0.004 C ATOM 24 C LIG 1 8.411 0.301 0.480 0.00 0.00 +0.022 C ATOM 25 C LIG 1 8.077 -1.271 2.532 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.436 0.754 -0.407 0.00 0.00 +0.220 C ATOM 27 F LIG 1 -6.543 1.527 -0.706 0.00 0.00 -0.223 F BRANCH 26 30 ATOM 28 C LIG 1 -8.156 0.231 1.044 0.00 0.00 +0.151 C ATOM 29 N LIG 1 -6.848 0.060 1.619 0.00 0.00 -0.317 N ATOM 30 C LIG 1 -5.625 0.279 1.027 0.00 0.00 +0.180 A ATOM 31 N LIG 1 -4.688 -0.049 1.903 0.00 0.00 -0.131 NA ATOM 32 N LIG 1 -5.296 -0.461 3.063 0.00 0.00 -0.138 NA ATOM 33 C LIG 1 -6.592 -0.382 2.879 0.00 0.00 +0.224 A ENDBRANCH 26 30 BRANCH 26 34 ATOM 34 C LIG 1 -5.400 -0.427 -1.405 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.856 -0.221 -2.722 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -5.831 -1.255 -3.661 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.346 -2.511 -3.304 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.883 -2.734 -2.008 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.907 -1.702 -1.067 0.00 0.00 +0.007 A ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 7