REMARK Name = BDB057352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.338 -0.763 0.995 0.00 0.00 +0.147 A ATOM 2 N LIG 1 -1.434 0.276 0.754 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.203 -0.302 0.797 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.220 0.061 0.599 0.00 0.00 +0.161 C ATOM 5 N LIG 1 1.839 -1.280 0.886 0.00 0.00 -0.253 N ATOM 6 C LIG 1 0.876 -2.301 1.120 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.051 -3.492 1.319 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.391 -1.615 1.083 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.702 -1.911 1.225 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.222 -1.547 0.686 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.245 -0.707 1.172 0.00 0.00 -0.029 A ATOM 12 C LIG 1 4.007 0.438 2.116 0.00 0.00 +0.045 C ATOM 13 C LIG 1 5.584 -0.981 0.828 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.918 -2.097 0.064 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.915 -2.957 -0.358 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 5.319 -4.344 -1.294 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 3.582 -2.693 -0.047 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 1.491 0.584 -0.811 0.00 0.00 -0.018 A ATOM 19 C LIG 1 1.846 1.927 -1.081 0.00 0.00 -0.044 A ATOM 20 C LIG 1 2.050 2.980 -0.023 0.00 0.00 +0.044 C ATOM 21 C LIG 1 2.079 2.326 -2.413 0.00 0.00 +0.023 A ATOM 22 C LIG 1 1.933 1.431 -3.470 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 2.213 1.956 -5.083 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 1.558 0.120 -3.224 0.00 0.00 +0.020 A ATOM 25 C LIG 1 1.338 -0.297 -1.910 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 -4.565 -0.665 -0.154 0.00 0.00 +0.134 A ATOM 27 C LIG 1 -3.790 -0.650 1.007 0.00 0.00 +0.077 A ATOM 28 C LIG 1 -4.476 -0.581 2.214 0.00 0.00 +0.125 A ATOM 29 N LIG 1 -5.822 -0.449 2.323 0.00 0.00 -0.262 NA ATOM 30 C LIG 1 -6.524 -0.420 1.170 0.00 0.00 +0.114 A ATOM 31 C LIG 1 -5.948 -0.522 -0.083 0.00 0.00 +0.066 A BRANCH 26 33 ATOM 32 C LIG 1 -3.859 -2.126 -1.780 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -3.988 -0.754 -1.396 0.00 0.00 -0.494 OA ENDBRANCH 26 33 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 -1.686 1.693 0.523 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.178 1.992 -0.891 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -2.567 2.355 1.583 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5