REMARK Name = BDB010259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.754 -1.309 0.361 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.572 -0.782 -0.155 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.627 -1.428 0.087 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.669 -0.799 -0.519 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 1.165 0.269 -1.113 0.00 0.00 +0.199 A ATOM 6 N LIG 1 0.758 -2.541 0.821 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.408 -2.959 1.325 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.203 0.341 -0.870 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.626 -2.402 1.133 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.950 1.202 -1.916 0.00 0.00 +0.280 C ATOM 11 N LIG 1 3.316 1.287 -1.776 0.00 0.00 -0.306 N ATOM 12 H LIG 1 3.726 1.906 -2.462 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 1.441 1.960 -2.746 0.00 0.00 -0.267 OA BRANCH 11 14 ATOM 14 C LIG 1 4.236 0.481 -0.972 0.00 0.00 +0.073 C ATOM 15 C LIG 1 4.625 -0.797 -1.738 0.00 0.00 +0.022 C ATOM 16 C LIG 1 6.021 -1.284 -1.369 0.00 0.00 +0.002 C ATOM 17 C LIG 1 7.090 -0.245 -1.709 0.00 0.00 +0.000 C ATOM 18 C LIG 1 6.595 1.197 -1.597 0.00 0.00 +0.002 C ATOM 19 C LIG 1 5.464 1.329 -0.583 0.00 0.00 +0.022 C ENDBRANCH 11 14 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -3.001 -0.756 0.107 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -3.103 -0.557 -0.882 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.276 -1.218 2.187 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.235 -1.335 0.662 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.518 -2.774 0.203 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.642 -3.016 -1.330 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.166 -2.863 -1.181 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.999 -3.243 0.301 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -0.346 -4.192 2.188 0.00 0.00 +0.375 C ATOM 29 O LIG 1 0.650 -4.834 2.481 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -1.554 -4.582 2.659 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -1.350 -5.376 3.193 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -1.056 1.471 -1.215 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.922 2.600 -0.221 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.244 3.777 -0.565 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.111 4.819 0.357 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.651 4.706 1.645 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.343 3.536 1.986 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.476 2.494 1.064 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.526 5.840 2.632 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.557 6.726 2.535 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.513 5.423 3.929 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.611 6.572 2.467 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10