REMARK Name = BDB057270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.102 -1.674 -0.219 0.00 0.00 +0.012 A ATOM 2 C LIG 1 -1.214 -2.477 -0.532 0.00 0.00 +0.126 A ATOM 3 C LIG 1 -2.507 -2.026 -0.264 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.705 -0.772 0.321 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.621 0.047 0.652 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.328 -0.422 0.385 0.00 0.00 +0.018 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.863 1.364 1.226 0.00 0.00 +0.089 A ATOM 8 N LIG 1 -3.144 1.887 1.393 0.00 0.00 -0.232 NA ATOM 9 C LIG 1 -2.943 3.077 1.890 0.00 0.00 +0.110 A ATOM 10 C LIG 1 -3.769 4.224 2.313 0.00 0.00 +0.076 C ATOM 11 C LIG 1 -2.739 5.072 3.102 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -1.351 4.650 2.583 0.00 0.00 +0.123 C ATOM 13 N LIG 1 -1.620 3.333 2.050 0.00 0.00 -0.334 N ATOM 14 C LIG 1 -0.899 2.272 1.649 0.00 0.00 +0.115 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 C LIG 1 1.286 -2.169 -0.582 0.00 0.00 +0.146 C BRANCH 15 18 ATOM 16 O LIG 1 3.863 0.414 -0.421 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 2.877 -0.214 -0.818 0.00 0.00 +0.220 C ATOM 18 N LIG 1 2.410 -1.337 -0.138 0.00 0.00 -0.297 N BRANCH 18 19 ATOM 19 C LIG 1 3.125 -1.770 1.065 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 C LIG 1 2.358 -1.442 2.311 0.00 0.00 +0.006 C ATOM 21 C LIG 1 2.362 -0.043 2.875 0.00 0.00 +0.005 C ATOM 22 C LIG 1 3.093 -1.143 3.594 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 18 19 BRANCH 17 23 ATOM 23 C LIG 1 2.155 0.213 -2.099 0.00 0.00 +0.131 C BRANCH 23 24 ATOM 24 C LIG 1 2.170 1.713 -2.316 0.00 0.00 -0.037 A ATOM 25 C LIG 1 1.107 2.510 -1.863 0.00 0.00 +0.025 A ATOM 26 C LIG 1 1.138 3.901 -2.022 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 -0.204 4.809 -1.420 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 2.237 4.506 -2.643 0.00 0.00 +0.059 A ATOM 29 CL LIG 1 2.346 6.215 -2.875 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 3.300 3.720 -3.096 0.00 0.00 +0.022 A ATOM 31 C LIG 1 3.267 2.332 -2.932 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 15 18 ENDBRANCH 1 15 BRANCH 2 32 ATOM 32 O LIG 1 -0.940 -3.684 -1.134 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -1.936 -4.732 -1.091 0.00 0.00 +0.173 C ATOM 34 C LIG 1 -1.431 -6.114 -1.581 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -2.013 -5.780 -2.964 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.949 -4.779 -2.265 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 9