REMARK Name = BDB042388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.630 1.217 -0.095 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.972 -0.037 -0.147 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.625 -0.103 -0.523 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -0.893 1.058 -0.825 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.554 2.294 -0.751 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -2.903 2.375 -0.392 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -8.568 2.978 1.276 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -7.116 3.076 1.407 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -6.456 3.286 0.101 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -5.898 2.012 -0.575 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -4.990 1.241 0.310 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -5.105 1.586 1.751 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -6.577 1.887 2.106 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 0.525 0.979 -1.214 0.00 0.00 -0.018 A ATOM 15 C LIG 1 0.938 0.158 -2.276 0.00 0.00 +0.009 A ATOM 16 C LIG 1 2.284 0.083 -2.649 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.249 0.822 -1.957 0.00 0.00 +0.037 A ATOM 18 C LIG 1 2.853 1.654 -0.905 0.00 0.00 +0.013 A ATOM 19 C LIG 1 1.504 1.727 -0.539 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 4.672 0.712 -2.387 0.00 0.00 +0.244 C ATOM 21 N LIG 1 5.623 0.993 -1.427 0.00 0.00 -0.310 N ATOM 22 H LIG 1 5.339 0.902 -0.459 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 4.947 0.358 -3.528 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 7.023 0.683 -1.663 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 7.347 -0.773 -1.278 0.00 0.00 +0.103 C BRANCH 25 26 ATOM 26 N LIG 1 6.971 -1.073 0.126 0.00 0.00 -0.301 NA ATOM 27 C LIG 1 7.955 -0.551 1.089 0.00 0.00 +0.084 C ATOM 28 C LIG 1 9.050 -1.605 1.199 0.00 0.00 +0.017 C ATOM 29 C LIG 1 8.423 -2.889 0.673 0.00 0.00 +0.017 C ATOM 30 C LIG 1 6.978 -2.524 0.376 0.00 0.00 +0.084 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 31 ATOM 31 N LIG 1 -3.751 -1.198 0.102 0.00 0.00 -0.296 N ATOM 32 H LIG 1 -4.668 -0.877 0.425 0.00 0.00 +0.154 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.375 -2.359 0.827 0.00 0.00 +0.148 A ATOM 34 C LIG 1 -4.327 -3.380 0.925 0.00 0.00 +0.102 A ATOM 35 C LIG 1 -3.930 -4.436 1.735 0.00 0.00 +0.155 A ATOM 36 CL LIG 1 -4.995 -5.754 2.064 0.00 0.00 -0.060 Cl ATOM 37 N LIG 1 -2.722 -4.578 2.307 0.00 0.00 -0.222 NA ATOM 38 C LIG 1 -1.880 -3.571 2.076 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.144 -2.466 1.367 0.00 0.00 -0.219 NA BRANCH 34 40 ATOM 40 N LIG 1 -5.645 -3.215 0.427 0.00 0.00 -0.353 N ATOM 41 H LIG 1 -5.645 -2.656 -0.427 0.00 0.00 +0.143 HD ATOM 42 H LIG 1 -6.124 -4.105 0.304 0.00 0.00 +0.143 HD ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 31 TORSDOF 9