REMARK Name = BDB020594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.459 1.967 -0.235 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.902 1.834 -0.786 0.00 0.00 -0.016 A ATOM 3 C LIG 1 1.008 1.658 -2.280 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.965 1.938 0.065 0.00 0.00 +0.056 A ATOM 5 N LIG 1 1.697 2.244 1.428 0.00 0.00 -0.317 N ATOM 6 C LIG 1 0.414 2.422 1.941 0.00 0.00 +0.047 A ATOM 7 C LIG 1 0.497 2.720 3.283 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.864 2.739 3.624 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.575 2.452 2.479 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -0.684 2.264 1.058 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -1.790 0.496 -1.576 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -1.079 -0.193 -1.358 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -1.700 1.754 -1.038 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -2.559 2.621 -1.146 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -2.960 0.029 -2.283 0.00 0.00 +0.145 C BRANCH 15 22 ATOM 16 C LIG 1 -5.605 -3.988 0.986 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -4.996 -2.887 0.175 0.00 0.00 +0.016 A ATOM 18 N LIG 1 -3.843 -3.178 -0.511 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -3.434 -4.102 -0.453 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -3.157 -2.281 -1.289 0.00 0.00 +0.254 A ATOM 21 O LIG 1 -2.119 -2.598 -1.865 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -3.729 -0.898 -1.389 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -4.867 -0.620 -0.714 0.00 0.00 -0.039 A ATOM 24 C LIG 1 -5.567 0.711 -0.694 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -5.509 -1.651 0.092 0.00 0.00 +0.024 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 3.423 1.728 -0.328 0.00 0.00 +0.163 C ATOM 27 C LIG 1 4.076 3.023 -0.804 0.00 0.00 +0.044 C BRANCH 26 28 ATOM 28 O LIG 1 3.520 0.747 -1.373 0.00 0.00 -0.366 OA BRANCH 28 29 ATOM 29 C LIG 1 4.547 -0.223 -1.170 0.00 0.00 +0.196 C BRANCH 29 30 ATOM 30 C LIG 1 4.144 -1.257 -0.147 0.00 0.00 -0.016 A ATOM 31 C LIG 1 2.853 -1.810 -0.150 0.00 0.00 +0.044 A ATOM 32 C LIG 1 2.497 -2.764 0.800 0.00 0.00 +0.126 A ATOM 33 F LIG 1 1.258 -3.270 0.792 0.00 0.00 -0.205 F ATOM 34 C LIG 1 3.404 -3.199 1.756 0.00 0.00 +0.076 A ATOM 35 C LIG 1 4.684 -2.665 1.749 0.00 0.00 +0.126 A ATOM 36 F LIG 1 5.575 -3.076 2.662 0.00 0.00 -0.205 F ATOM 37 C LIG 1 5.063 -1.706 0.811 0.00 0.00 +0.044 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7