REMARK Name = BDB017732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.878 -1.044 1.548 0.00 0.00 +0.042 A ATOM 2 C LIG 1 1.087 -2.441 1.592 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.375 -3.009 2.139 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.067 -3.301 1.117 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.116 -2.715 0.624 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -1.350 -1.327 0.630 0.00 0.00 -0.014 A ATOM 7 C LIG 1 -0.332 -0.499 1.102 0.00 0.00 +0.022 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.616 -0.768 0.138 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.369 0.133 0.887 0.00 0.00 +0.121 A ATOM 10 N LIG 1 -4.546 0.682 0.494 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 -5.039 0.349 -0.716 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -4.356 -0.554 -1.532 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -3.146 -1.110 -1.107 0.00 0.00 +0.013 A BRANCH 11 14 ATOM 14 N LIG 1 -6.257 0.898 -1.161 0.00 0.00 -0.313 N ATOM 15 C LIG 1 -7.018 1.627 -0.121 0.00 0.00 +0.122 C ATOM 16 C LIG 1 -6.782 3.151 -0.205 0.00 0.00 +0.103 C ATOM 17 N LIG 1 -7.145 3.758 -1.510 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -8.413 4.478 -1.440 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -7.181 2.740 -2.584 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -6.093 1.653 -2.428 0.00 0.00 +0.122 C ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 1 23 ATOM 21 N LIG 1 3.067 -0.109 1.181 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.200 -0.898 0.559 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 1.917 -0.061 1.935 0.00 0.00 +0.245 C ATOM 24 O LIG 1 1.703 0.739 2.836 0.00 0.00 -0.270 OA BRANCH 21 25 ATOM 25 C LIG 1 4.243 0.629 1.577 0.00 0.00 +0.145 C BRANCH 25 27 ATOM 26 C LIG 1 5.216 1.994 -0.341 0.00 0.00 -0.036 A ATOM 27 C LIG 1 5.115 0.852 0.378 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.979 -0.313 0.002 0.00 0.00 +0.254 A ATOM 29 O LIG 1 5.912 -1.390 0.588 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 6.841 -0.126 -1.048 0.00 0.00 -0.326 N ATOM 31 H LIG 1 7.415 -0.926 -1.285 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 6.931 1.029 -1.783 0.00 0.00 +0.016 A ATOM 33 C LIG 1 7.911 1.045 -2.915 0.00 0.00 +0.063 C ATOM 34 C LIG 1 6.145 2.067 -1.462 0.00 0.00 +0.025 A BRANCH 26 35 ATOM 35 C LIG 1 4.386 3.239 -0.102 0.00 0.00 +0.035 C BRANCH 35 37 ATOM 36 C LIG 1 5.688 4.122 1.914 0.00 0.00 +0.004 C ATOM 37 C LIG 1 5.162 4.409 0.516 0.00 0.00 +0.001 C ENDBRANCH 35 37 ENDBRANCH 26 35 ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 1 23 BRANCH 4 38 ATOM 38 N LIG 1 0.301 -4.678 1.026 0.00 0.00 -0.341 N ATOM 39 H LIG 1 0.992 -5.013 1.689 0.00 0.00 +0.146 HD BRANCH 38 40 ATOM 40 C LIG 1 -0.751 -5.658 0.749 0.00 0.00 +0.064 C ATOM 41 C LIG 1 -0.847 -5.898 -0.758 0.00 0.00 +0.027 C ATOM 42 C LIG 1 -0.407 -6.971 1.457 0.00 0.00 +0.027 C ENDBRANCH 38 40 ENDBRANCH 4 38 TORSDOF 9