REMARK Name = BDB005297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.236 0.309 -0.208 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.220 -0.583 0.146 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.872 0.195 0.374 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.289 0.051 0.738 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.696 1.504 0.789 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.601 2.367 0.449 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.558 3.585 0.391 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.490 1.482 0.201 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.813 1.571 -0.146 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.970 1.923 1.190 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.878 1.078 1.722 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.143 1.478 2.126 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -7.039 0.479 2.690 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.582 2.801 2.023 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.692 3.179 2.388 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.591 3.745 1.421 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.056 5.391 1.215 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.381 3.311 1.040 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -3.068 -0.768 -0.280 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -3.550 -2.042 0.070 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -4.251 -2.818 -0.856 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.474 -2.332 -2.142 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -5.334 -3.291 -3.280 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -4.000 -1.077 -2.510 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -3.298 -0.299 -1.586 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 2.930 -0.416 -1.903 0.00 0.00 +0.131 A ATOM 27 C LIG 1 2.599 -0.052 -0.588 0.00 0.00 +0.060 A ATOM 28 C LIG 1 3.615 0.021 0.372 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.929 -0.310 0.025 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.239 -0.737 -1.271 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.236 -0.784 -2.239 0.00 0.00 +0.047 A BRANCH 29 32 ATOM 32 C LIG 1 5.968 -0.289 1.076 0.00 0.00 +0.246 C ATOM 33 N LIG 1 7.121 0.466 0.870 0.00 0.00 -0.304 N ATOM 34 C LIG 1 8.171 0.386 1.870 0.00 0.00 +0.132 C ATOM 35 C LIG 1 7.221 1.573 -0.071 0.00 0.00 +0.132 C ATOM 36 O LIG 1 5.761 -0.968 2.079 0.00 0.00 -0.270 OA ENDBRANCH 29 32 BRANCH 26 38 ATOM 37 C LIG 1 1.868 0.753 -3.568 0.00 0.00 +0.277 C ATOM 38 O LIG 1 1.968 -0.496 -2.878 0.00 0.00 -0.494 OA ENDBRANCH 26 38 ENDBRANCH 1 27 BRANCH 2 39 ATOM 39 C LIG 1 0.258 -2.034 0.282 0.00 0.00 +0.083 C ATOM 40 C LIG 1 0.248 -2.757 -1.062 0.00 0.00 +0.030 C ATOM 41 C LIG 1 1.370 -2.549 1.196 0.00 0.00 +0.030 C ENDBRANCH 2 39 TORSDOF 6