REMARK Name = BDB006360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.669 -0.531 0.147 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.522 -0.803 -1.222 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.246 -0.711 -1.814 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.234 -0.906 -3.137 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.589 -0.668 -3.131 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.960 -0.356 -1.845 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.851 -0.363 -1.019 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.721 -0.107 0.354 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.553 -0.201 0.922 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.094 -0.337 0.039 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -3.962 0.044 -0.887 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -2.994 -0.611 0.822 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.062 -0.880 2.016 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.447 -0.326 0.574 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 -6.178 0.886 0.014 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -6.236 2.064 0.777 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.872 3.205 0.285 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.451 3.189 -0.982 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.389 2.035 -1.758 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.752 0.892 -1.268 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -5.619 -2.829 1.082 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -6.176 -1.655 0.286 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 3.326 -0.007 -1.445 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 4.014 -1.080 -0.621 0.00 0.00 -0.020 A ATOM 25 C LIG 1 4.875 -0.744 0.453 0.00 0.00 -0.012 A ATOM 26 C LIG 1 5.531 -1.779 1.151 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.360 -3.115 0.795 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.535 -3.444 -0.271 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.876 -2.437 -0.978 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 5.105 0.642 0.898 0.00 0.00 -0.004 A ATOM 31 C LIG 1 6.077 1.492 0.333 0.00 0.00 +0.067 A ATOM 32 C LIG 1 6.275 2.788 0.842 0.00 0.00 +0.015 A ATOM 33 C LIG 1 5.511 3.249 1.913 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.552 2.421 2.485 0.00 0.00 +0.001 A ATOM 35 C LIG 1 4.356 1.131 1.986 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 6.899 1.065 -0.823 0.00 0.00 +0.337 C ATOM 37 O LIG 1 6.520 0.475 -1.815 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 8.186 1.425 -0.664 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 8.630 1.070 -1.463 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9