REMARK Name = BDB056593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.898 1.575 0.132 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -2.408 0.276 0.284 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -3.126 -0.940 0.349 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -2.619 -1.954 0.800 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.006 0.358 0.287 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -0.649 1.651 -0.089 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.705 1.966 -0.226 0.00 0.00 +0.123 A ATOM 8 N LIG 1 1.661 1.034 -0.000 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.320 -0.216 0.369 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -0.012 -0.608 0.513 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -1.845 2.391 -0.229 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -6.941 4.622 0.322 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.063 3.485 0.453 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -6.523 2.356 1.020 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -5.468 1.536 0.982 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.343 2.126 0.375 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -4.756 3.404 0.068 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 2.309 -1.204 0.594 0.00 0.00 -0.298 N ATOM 19 H LIG 1 2.105 -1.708 1.454 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 3.706 -1.122 0.380 0.00 0.00 +0.051 A ATOM 21 C LIG 1 4.592 -1.893 1.159 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 3.990 -2.890 2.442 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 5.973 -1.868 0.937 0.00 0.00 +0.032 A ATOM 24 C LIG 1 6.505 -1.076 -0.083 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.635 -0.336 -0.889 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.254 -0.365 -0.663 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 7.943 -1.045 -0.310 0.00 0.00 +0.068 A ATOM 28 N LIG 1 8.746 0.073 -0.256 0.00 0.00 -0.333 N ATOM 29 C LIG 1 8.345 1.420 0.068 0.00 0.00 +0.150 C ATOM 30 C LIG 1 10.030 -0.316 -0.517 0.00 0.00 +0.199 A ATOM 31 N LIG 1 10.111 -1.610 -0.721 0.00 0.00 -0.243 NA ATOM 32 C LIG 1 8.828 -2.072 -0.588 0.00 0.00 +0.138 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 -4.334 -0.812 -0.247 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.168 -1.979 -0.474 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -5.590 -2.634 0.846 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.421 -1.441 -1.182 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -4.473 -2.977 -1.407 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6