REMARK Name = BDB008718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 -1.297 0.371 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.092 -1.323 0.503 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.496 -2.090 1.494 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.854 -1.999 1.466 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -2.144 -1.189 0.465 0.00 0.00 +0.144 A ATOM 6 N LIG 1 0.178 -2.845 2.374 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.506 -2.780 2.168 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.981 -0.764 -0.161 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.167 -2.067 1.234 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.506 -0.856 0.050 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -4.399 -1.853 -0.328 0.00 0.00 -0.019 A ATOM 12 C LIG 1 -4.200 -3.331 -0.403 0.00 0.00 +0.117 C ATOM 13 N LIG 1 -5.547 -3.910 -0.651 0.00 0.00 -0.308 NA ATOM 14 H LIG 1 -5.915 -4.176 0.264 0.00 0.00 +0.123 HD ATOM 15 C LIG 1 -6.396 -2.801 -1.145 0.00 0.00 +0.117 C ATOM 16 C LIG 1 -5.691 -1.546 -0.754 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -6.143 -0.240 -0.801 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -5.275 0.772 -0.393 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.970 0.468 0.032 0.00 0.00 +0.012 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 2.136 -0.542 -0.589 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.663 0.337 -0.763 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 4.358 -1.651 -0.821 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.595 -0.354 -0.562 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.090 0.349 0.701 0.00 0.00 +0.009 C ATOM 25 C LIG 1 3.535 1.780 0.958 0.00 0.00 +0.005 C ATOM 26 C LIG 1 4.928 2.143 1.510 0.00 0.00 +0.001 C ATOM 27 C LIG 1 5.493 1.016 0.623 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 2.325 -3.608 3.121 0.00 0.00 +0.375 C ATOM 29 O LIG 1 3.542 -3.692 3.136 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 1.523 -4.273 4.001 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 0.576 -4.066 3.818 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.918 0.013 -1.394 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.474 1.450 -1.210 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.023 2.149 -2.341 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.414 3.473 -2.242 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.398 4.138 -1.010 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.058 3.447 0.121 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.496 2.123 0.021 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.899 5.557 -0.893 0.00 0.00 +0.417 C ATOM 40 F LIG 1 2.227 5.611 -0.600 0.00 0.00 -0.166 F ATOM 41 F LIG 1 0.269 6.266 0.084 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.737 6.277 -2.038 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9