REMARK Name = BDB047771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.768 -1.069 0.205 0.00 0.00 +0.231 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.747 -0.188 -0.344 0.00 0.00 -0.492 OA BRANCH 2 11 ATOM 3 C LIG 1 -3.881 0.773 -0.459 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -5.194 0.796 0.028 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -5.686 -0.021 1.029 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -7.046 0.371 1.165 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -7.350 1.362 0.308 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -4.821 -0.954 1.620 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.494 -1.019 1.166 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -6.191 1.618 -0.401 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -3.026 -0.178 0.147 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -8.049 -0.177 2.116 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -7.971 0.423 3.335 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -7.862 -1.509 2.339 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -9.333 -0.040 1.692 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -3.413 1.689 -1.563 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -4.686 0.618 -3.498 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.328 1.011 -2.934 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.107 -0.470 1.446 0.00 0.00 +0.062 C BRANCH 19 20 ATOM 20 C LIG 1 0.464 0.932 1.220 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 N LIG 1 1.560 0.966 0.266 0.00 0.00 -0.347 N ATOM 22 C LIG 1 2.871 0.625 0.533 0.00 0.00 +0.049 A ATOM 23 C LIG 1 3.585 0.803 -0.654 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.966 0.519 -0.672 0.00 0.00 +0.013 A ATOM 25 C LIG 1 5.605 0.069 0.496 0.00 0.00 -0.046 A ATOM 26 C LIG 1 4.862 -0.103 1.667 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.668 1.268 -1.635 0.00 0.00 +0.027 A ATOM 28 C LIG 1 3.490 0.173 1.708 0.00 0.00 +0.026 A ATOM 29 C LIG 1 1.432 1.365 -1.040 0.00 0.00 +0.087 A BRANCH 25 30 ATOM 30 C LIG 1 7.078 -0.255 0.473 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 7.325 -1.699 0.061 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 8.796 -1.985 0.080 0.00 0.00 +0.305 C ATOM 33 O LIG 1 9.448 -2.339 1.047 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 9.386 -1.774 -1.110 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 10.330 -1.985 -0.952 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12