REMARK Name = BDB025694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.533 -0.556 -0.712 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.924 0.519 -0.022 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.449 0.505 0.247 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.260 -0.572 -0.159 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.631 -1.628 -0.838 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.348 -2.681 -1.260 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.737 -1.631 -1.111 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.989 -2.203 0.633 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.209 -1.274 -0.303 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.648 -1.376 -1.725 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.605 -2.737 -2.259 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.823 -0.459 -2.549 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.293 -0.623 -2.378 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.932 -0.494 -0.948 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.676 -1.454 -0.092 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.704 -0.582 0.119 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.514 0.531 0.007 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.843 0.549 0.256 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.426 -0.596 0.643 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.730 -1.735 0.785 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.403 -1.702 0.522 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.790 -0.596 0.939 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.425 -1.917 0.820 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.898 -1.834 1.248 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.609 -0.826 0.511 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.008 0.459 0.741 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.541 0.488 0.288 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.795 1.567 0.344 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.752 1.363 0.067 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.509 2.721 1.038 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.419 3.031 1.505 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.656 3.642 1.244 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -2.627 4.505 2.333 0.00 0.00 +0.123 A ATOM 34 N LIG 1 -3.618 5.385 2.630 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 -4.675 5.415 1.792 0.00 0.00 +0.111 A ATOM 36 C LIG 1 -4.789 4.609 0.669 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -3.760 3.710 0.389 0.00 0.00 +0.016 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5