REMARK Name = BDB056589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.242 1.931 -0.121 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -2.720 0.636 -0.224 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -3.448 -0.535 -0.538 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -4.535 -0.486 -1.088 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.327 0.729 -0.026 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -0.990 2.080 0.061 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.350 2.444 0.216 0.00 0.00 +0.123 A ATOM 8 N LIG 1 1.323 1.507 0.278 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.012 0.201 0.193 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -0.304 -0.236 0.024 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -2.188 2.818 -0.030 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -7.341 4.902 0.110 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.479 3.747 0.067 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -7.016 2.519 0.132 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -5.955 1.708 0.054 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.737 2.413 -0.048 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -5.118 3.739 -0.022 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 2.018 -0.793 0.241 0.00 0.00 -0.298 N ATOM 19 H LIG 1 1.743 -1.531 0.885 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 3.424 -0.628 0.251 0.00 0.00 +0.051 A ATOM 21 C LIG 1 4.249 -1.593 0.857 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 3.551 -2.954 1.673 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 5.644 -1.481 0.834 0.00 0.00 +0.032 A ATOM 24 C LIG 1 6.280 -0.405 0.192 0.00 0.00 +0.003 A ATOM 25 C LIG 1 5.454 0.536 -0.446 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.055 0.421 -0.422 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 7.752 -0.297 0.183 0.00 0.00 +0.089 A ATOM 28 N LIG 1 8.441 -1.467 0.278 0.00 0.00 -0.252 NA ATOM 29 C LIG 1 9.792 -1.376 0.267 0.00 0.00 +0.131 A ATOM 30 C LIG 1 10.455 -0.167 0.171 0.00 0.00 +0.130 A ATOM 31 N LIG 1 9.798 1.008 0.085 0.00 0.00 -0.260 NA ATOM 32 C LIG 1 8.443 0.913 0.096 0.00 0.00 +0.139 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 -2.775 -1.645 -0.154 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.342 -2.962 -0.372 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -3.516 -3.251 -1.867 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.654 -3.138 0.402 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -2.301 -3.937 0.199 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6