REMARK Name = BDB056009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 -2.731 -0.628 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.817 -1.446 -0.662 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -1.761 -1.115 -0.823 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.133 -0.518 -0.472 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.272 -1.212 -0.324 0.00 0.00 +0.094 A ATOM 6 C LIG 1 1.007 -2.607 -0.430 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.558 -0.539 -0.095 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.636 0.861 -0.078 0.00 0.00 +0.012 A ATOM 9 C LIG 1 3.853 1.519 0.141 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.021 0.790 0.355 0.00 0.00 +0.035 A ATOM 11 C LIG 1 4.955 -0.607 0.332 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.738 -1.266 0.112 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 6.282 1.375 0.569 0.00 0.00 -0.269 N ATOM 14 H LIG 1 7.047 0.744 0.759 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 6.564 2.691 0.821 0.00 0.00 +0.308 C ATOM 16 N LIG 1 7.894 3.018 0.888 0.00 0.00 -0.269 N ATOM 17 H LIG 1 8.026 3.916 1.338 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 5.742 3.570 1.065 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 9.044 2.401 0.364 0.00 0.00 +0.035 A ATOM 20 C LIG 1 10.280 2.832 0.859 0.00 0.00 +0.023 A ATOM 21 C LIG 1 11.471 2.276 0.385 0.00 0.00 +0.002 A ATOM 22 C LIG 1 11.437 1.298 -0.605 0.00 0.00 +0.000 A ATOM 23 C LIG 1 10.214 0.886 -1.129 0.00 0.00 +0.002 A ATOM 24 C LIG 1 9.022 1.441 -0.652 0.00 0.00 +0.023 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 25 C LIG 1 -2.419 -4.085 -0.973 0.00 0.00 +0.249 C ATOM 26 N LIG 1 -1.065 -3.900 -0.805 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -0.530 -4.751 -0.940 0.00 0.00 +0.157 HD ATOM 28 O LIG 1 -2.853 -5.156 -1.391 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 -5.234 -1.001 0.022 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -4.369 -1.536 0.994 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.454 -2.546 0.688 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -3.385 -3.032 -0.617 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -4.253 -2.550 -1.595 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -5.162 -1.535 -1.274 0.00 0.00 +0.024 A BRANCH 29 39 ATOM 35 C LIG 1 -9.811 1.986 0.225 0.00 0.00 +0.105 C ATOM 36 N LIG 1 -9.037 0.748 0.210 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 -8.300 0.583 1.484 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -7.128 -0.421 1.389 0.00 0.00 +0.120 C ATOM 39 N LIG 1 -6.120 0.018 0.389 0.00 0.00 -0.327 N ATOM 40 C LIG 1 -6.638 0.952 -0.633 0.00 0.00 +0.120 C ATOM 41 C LIG 1 -8.124 0.680 -0.954 0.00 0.00 +0.103 C ENDBRANCH 29 39 ENDBRANCH 25 32 ENDBRANCH 1 26 TORSDOF 6