REMARK Name = BDB024457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.574 -0.281 1.663 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.163 -1.535 1.261 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.692 -2.001 0.536 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.169 0.535 2.197 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -4.280 -0.489 0.937 0.00 0.00 +0.124 A ATOM 6 N LIG 1 -4.590 0.824 0.849 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 -3.636 1.761 1.030 0.00 0.00 +0.122 A ATOM 8 C LIG 1 -2.318 1.423 1.274 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -1.985 0.078 1.369 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.979 -0.887 1.224 0.00 0.00 +0.056 A BRANCH 5 15 ATOM 11 C LIG 1 -7.807 -2.619 -1.674 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -6.807 -1.558 -1.762 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -5.431 -2.083 -1.614 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -5.041 -2.524 -0.181 0.00 0.00 +0.122 C ATOM 15 N LIG 1 -5.292 -1.456 0.811 0.00 0.00 -0.313 N ATOM 16 C LIG 1 -6.663 -0.907 0.712 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -7.030 -0.508 -0.739 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 7 18 ATOM 18 N LIG 1 -3.965 3.134 0.932 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -3.565 3.608 1.739 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -5.305 3.576 0.678 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -5.699 3.511 -0.817 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.366 4.888 -0.623 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -5.387 5.117 0.545 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 1.242 -1.916 1.336 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 2.046 -1.313 0.173 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 1.482 -1.803 -1.062 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 1.950 -1.347 -1.783 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.541 -1.699 0.230 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.258 -1.350 1.468 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.664 -1.835 1.422 0.00 0.00 +0.122 C ATOM 31 C LIG 1 6.529 -0.925 0.604 0.00 0.00 -0.005 A ATOM 32 C LIG 1 7.790 -1.177 -0.004 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.189 0.007 -0.637 0.00 0.00 +0.049 A ATOM 34 N LIG 1 7.194 0.946 -0.420 0.00 0.00 -0.346 N ATOM 35 C LIG 1 7.229 2.300 -0.926 0.00 0.00 +0.149 C ATOM 36 C LIG 1 9.405 0.100 -1.335 0.00 0.00 +0.026 A ATOM 37 C LIG 1 10.224 -1.032 -1.388 0.00 0.00 +0.002 A ATOM 38 C LIG 1 9.847 -2.217 -0.766 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.636 -2.303 -0.071 0.00 0.00 +0.010 A ATOM 40 C LIG 1 6.199 0.391 0.334 0.00 0.00 +0.025 A ATOM 41 C LIG 1 4.931 1.034 0.784 0.00 0.00 +0.069 C ATOM 42 C LIG 1 4.221 0.099 1.798 0.00 0.00 +0.091 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9