REMARK Name = BDB005916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.056 -0.614 -0.289 0.00 0.00 -0.310 N ATOM 2 C LIG 1 1.021 -1.082 0.585 0.00 0.00 +0.097 A ATOM 3 C LIG 1 0.497 -2.301 1.017 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.157 -3.065 1.979 0.00 0.00 +0.061 A ATOM 5 C LIG 1 2.333 -2.531 2.467 0.00 0.00 +0.112 A ATOM 6 N LIG 1 2.860 -1.358 2.046 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -0.678 -2.601 0.385 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 2.250 -0.623 1.074 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -0.915 -1.588 -0.411 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.943 -1.448 -1.290 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.325 -1.607 -0.780 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.861 -3.015 -1.063 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -5.180 -3.039 -0.301 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -4.984 -2.083 0.884 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -4.038 -3.262 -2.460 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -3.065 -2.558 -3.258 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.606 -1.434 0.705 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.736 -2.272 -2.526 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 3.116 -3.231 3.512 0.00 0.00 +0.201 A ATOM 20 N LIG 1 2.908 -4.528 3.794 0.00 0.00 -0.270 N ATOM 21 H LIG 1 2.299 -5.199 3.363 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 3.787 -4.861 4.752 0.00 0.00 +0.440 A ATOM 23 O LIG 1 3.913 -5.972 5.241 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 4.517 -3.751 5.083 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 4.049 -2.699 4.234 0.00 0.00 -0.053 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 2.966 0.579 0.669 0.00 0.00 +0.065 A ATOM 27 C LIG 1 3.474 0.769 -0.623 0.00 0.00 +0.224 A ATOM 28 N LIG 1 4.145 1.878 -1.022 0.00 0.00 -0.219 NA ATOM 29 C LIG 1 4.356 2.832 -0.085 0.00 0.00 +0.134 A ATOM 30 C LIG 1 3.921 2.734 1.226 0.00 0.00 +0.060 A ATOM 31 CL LIG 1 4.218 3.995 2.349 0.00 0.00 -0.082 Cl ATOM 32 C LIG 1 3.225 1.593 1.606 0.00 0.00 +0.037 A BRANCH 27 33 ATOM 33 O LIG 1 3.223 -0.222 -1.552 0.00 0.00 -0.474 OA BRANCH 33 34 ATOM 34 C LIG 1 3.794 -0.009 -2.848 0.00 0.00 +0.258 C BRANCH 34 35 ATOM 35 C LIG 1 2.938 0.924 -3.708 0.00 0.00 +0.196 C BRANCH 35 36 ATOM 36 O LIG 1 1.681 0.314 -4.008 0.00 0.00 -0.392 OA ATOM 37 H LIG 1 1.216 0.921 -4.610 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 8 26 BRANCH 1 38 ATOM 38 C LIG 1 -0.015 0.675 -0.953 0.00 0.00 +0.128 C BRANCH 38 43 ATOM 39 C LIG 1 -1.438 5.674 0.908 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.595 4.399 0.887 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.165 4.032 -0.546 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.069 2.969 -1.163 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -1.052 1.652 -0.358 0.00 0.00 +0.009 C ATOM 44 C LIG 1 -0.817 1.897 1.146 0.00 0.00 +0.005 C ATOM 45 C LIG 1 -1.349 3.255 1.586 0.00 0.00 +0.003 C ENDBRANCH 38 43 ENDBRANCH 1 38 TORSDOF 9