REMARK Name = BDB024878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.347 0.803 1.378 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.719 0.917 0.125 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.364 1.698 -0.960 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.620 0.983 -1.492 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.464 1.997 -2.169 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.055 2.312 -1.724 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.536 1.108 -0.995 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.211 0.652 -1.165 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.227 1.159 -1.973 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.836 0.405 -1.778 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.560 -0.610 -0.876 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.747 -0.449 -0.456 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.560 -1.130 0.453 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.872 -0.665 0.625 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.375 0.440 -0.075 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.903 0.226 2.364 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.498 -1.639 -0.436 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.885 -1.494 1.043 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.921 -2.539 1.454 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.456 -3.962 1.129 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.083 -4.097 -0.354 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.035 -3.066 -0.772 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.534 -4.957 1.499 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.245 -5.589 0.736 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.660 -5.102 2.832 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.382 -5.757 2.937 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.211 1.407 2.682 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.543 1.466 1.421 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.163 0.643 -2.439 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.222 1.184 -1.501 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -4.484 0.584 -1.432 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -5.450 1.088 -0.564 0.00 0.00 +0.165 A ATOM 33 F LIG 1 -6.646 0.481 -0.518 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -5.202 2.203 0.241 0.00 0.00 +0.162 A ATOM 35 C LIG 1 -3.946 2.809 0.172 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -2.970 2.308 -0.699 0.00 0.00 +0.008 A BRANCH 34 37 ATOM 37 O LIG 1 -6.230 2.589 1.056 0.00 0.00 -0.431 OA BRANCH 37 38 ATOM 38 C LIG 1 -6.164 3.904 1.575 0.00 0.00 +0.541 C ATOM 39 F LIG 1 -7.360 4.171 2.158 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -5.235 3.947 2.561 0.00 0.00 -0.166 F ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8