REMARK Name = BDB055177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.145 0.022 1.264 0.00 0.00 +0.090 C ATOM 2 C LIG 1 0.311 -0.466 1.089 0.00 0.00 +0.034 C ATOM 3 C LIG 1 1.350 0.637 1.363 0.00 0.00 +0.072 C ATOM 4 C LIG 1 0.825 2.002 0.851 0.00 0.00 +0.099 C ATOM 5 N LIG 1 -0.420 2.438 1.509 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.963 2.984 0.838 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.226 1.339 2.046 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.755 0.347 1.008 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 3.176 -0.133 -0.322 0.00 0.00 +0.033 C ATOM 10 C LIG 1 2.489 0.590 -1.496 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.038 -1.658 -0.552 0.00 0.00 +0.029 C ATOM 12 C LIG 1 4.688 0.244 -0.407 0.00 0.00 +0.135 C ATOM 13 N LIG 1 5.509 -0.367 0.637 0.00 0.00 -0.267 N ATOM 14 C LIG 1 4.977 -0.530 1.920 0.00 0.00 +0.234 C ATOM 15 O LIG 1 5.645 -0.873 2.902 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 3.465 -0.331 2.111 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 6.872 -0.734 0.343 0.00 0.00 +0.055 A ATOM 18 C LIG 1 7.739 -0.017 -0.512 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 7.376 1.539 -1.185 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 9.030 -0.496 -0.792 0.00 0.00 +0.022 A ATOM 21 C LIG 1 9.487 -1.684 -0.229 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.658 -2.397 0.626 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.371 -1.926 0.906 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 -3.252 0.293 0.063 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.679 0.062 0.951 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -1.884 0.160 -0.068 0.00 0.00 +0.218 C ATOM 27 O LIG 1 -1.327 0.164 -1.161 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.124 0.387 -1.103 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 -5.445 1.110 -0.756 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 30 C LIG 1 -4.504 3.481 -0.987 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -5.274 2.501 -0.101 0.00 0.00 -0.015 C ATOM 32 C LIG 1 -6.651 3.083 0.235 0.00 0.00 +0.007 C ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 C LIG 1 -4.302 -0.985 -1.831 0.00 0.00 +0.137 C BRANCH 33 34 ATOM 34 C LIG 1 -4.497 -2.237 -0.936 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -5.757 -2.206 -0.072 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -4.521 -3.507 -1.800 0.00 0.00 +0.010 C ENDBRANCH 33 34 BRANCH 33 37 ATOM 37 O LIG 1 -5.368 -0.914 -2.783 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -5.085 -0.302 -3.485 0.00 0.00 +0.210 HD ENDBRANCH 33 37 ENDBRANCH 28 33 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 9