REMARK Name = BDB009985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.286 -0.794 0.121 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.015 -1.339 0.283 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.144 -2.553 0.924 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.456 -2.903 1.011 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 2.130 -1.935 0.421 0.00 0.00 +0.147 A ATOM 6 N LIG 1 -0.867 -3.289 1.404 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.061 -2.724 1.185 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.266 -0.988 -0.092 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.309 -1.540 0.573 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.690 -1.959 0.385 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.437 -2.995 0.899 0.00 0.00 +0.119 A ATOM 12 N LIG 1 5.741 -2.662 0.695 0.00 0.00 -0.274 N ATOM 13 C LIG 1 6.903 -3.436 1.057 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.898 -1.469 0.089 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.644 -1.042 -0.091 0.00 0.00 +0.145 A ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.487 0.449 -0.457 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.811 1.120 -0.103 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -3.469 1.330 0.765 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.822 1.049 -0.588 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -3.718 0.310 -1.589 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -4.720 -0.810 -1.177 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -5.652 -0.283 -2.286 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -4.964 1.085 -2.113 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -3.248 -3.498 1.698 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -3.234 -4.597 2.229 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.427 -2.854 1.533 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -5.084 -3.475 1.909 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.605 0.084 -1.016 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 1.732 1.442 -0.363 0.00 0.00 -0.028 A ATOM 30 C LIG 1 2.198 1.625 0.947 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.315 2.907 1.492 0.00 0.00 +0.013 A ATOM 32 C LIG 1 1.974 4.039 0.741 0.00 0.00 +0.055 A ATOM 33 C LIG 1 1.533 3.863 -0.577 0.00 0.00 +0.013 A ATOM 34 C LIG 1 1.417 2.582 -1.122 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 2.122 5.425 1.321 0.00 0.00 +0.417 C ATOM 36 F LIG 1 2.004 5.453 2.678 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.332 5.979 1.037 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.189 6.299 0.850 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9