REMARK Name = BDB062034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.621 -0.319 -0.576 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.287 0.581 -1.129 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.238 1.290 -2.118 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.460 0.584 -0.245 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.632 1.308 -0.376 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.615 1.146 0.608 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.384 0.254 1.684 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.188 -0.482 1.800 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.228 -0.292 0.811 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.126 -0.909 0.656 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.047 -1.750 -0.952 0.00 0.00 -0.031 A ATOM 12 C LIG 1 -2.749 -1.496 -0.468 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -1.887 -0.618 -1.121 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.260 -0.021 -2.265 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.481 -0.260 -2.794 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.379 -1.115 -2.156 0.00 0.00 +0.028 A BRANCH 11 17 ATOM 17 C LIG 1 -5.094 -2.642 -0.125 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.030 -3.577 -0.936 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.772 -4.679 -0.034 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.607 -3.986 0.486 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.885 -1.769 0.875 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -5.421 1.322 1.038 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -4.782 0.318 1.844 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.980 -1.040 1.814 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -4.170 -1.596 2.692 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -3.424 -0.606 3.281 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -3.808 0.539 2.768 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 BRANCH 15 28 ATOM 28 C LIG 1 -3.850 0.433 -4.084 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -3.659 1.928 -4.204 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -5.045 1.361 -4.139 0.00 0.00 +0.010 C ENDBRANCH 15 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.950 -1.413 2.958 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.430 -2.609 2.566 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.066 -0.897 3.855 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.075 -1.709 3.663 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.925 1.899 0.518 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.017 0.974 0.216 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.840 0.546 -0.693 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.338 1.611 0.325 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.392 0.463 0.320 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.066 1.168 1.518 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.699 1.816 1.824 0.00 0.00 +0.022 C ATOM 42 C LIG 1 7.593 2.737 -0.659 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9