REMARK Name = BDB062711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.979 -1.249 0.045 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -0.745 -0.789 0.542 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.328 -1.723 1.040 0.00 0.00 +0.055 C ATOM 4 C LIG 1 1.705 -1.102 0.846 0.00 0.00 +0.113 C ATOM 5 N LIG 1 1.779 0.233 1.419 0.00 0.00 -0.293 N ATOM 6 C LIG 1 0.741 1.139 1.218 0.00 0.00 +0.247 C ATOM 7 O LIG 1 0.829 2.332 1.492 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.531 0.599 0.648 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -1.524 1.504 0.245 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -2.747 1.046 -0.265 0.00 0.00 -0.026 A ATOM 11 C LIG 1 -2.964 -0.335 -0.358 0.00 0.00 +0.014 A ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 -2.495 -4.679 -0.849 0.00 0.00 -0.271 N ATOM 13 N LIG 1 -2.995 -4.782 0.396 0.00 0.00 -0.167 NA ATOM 14 C LIG 1 -2.883 -3.537 0.909 0.00 0.00 +0.173 A ATOM 15 C LIG 1 -2.289 -2.659 -0.042 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -2.067 -3.425 -1.163 0.00 0.00 +0.117 A BRANCH 14 17 ATOM 17 C LIG 1 -3.335 -3.170 2.296 0.00 0.00 +0.437 C ATOM 18 F LIG 1 -2.304 -2.710 3.057 0.00 0.00 -0.164 F ATOM 19 F LIG 1 -4.273 -2.181 2.276 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -3.887 -4.207 2.982 0.00 0.00 -0.164 F ENDBRANCH 14 17 BRANCH 12 22 ATOM 21 C LIG 1 -1.243 -6.711 -1.456 0.00 0.00 +0.029 C ATOM 22 C LIG 1 -2.464 -5.846 -1.710 0.00 0.00 +0.140 C ENDBRANCH 12 22 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 C LIG 1 3.086 0.735 1.831 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 C LIG 1 4.037 0.909 0.671 0.00 0.00 -0.023 A ATOM 25 C LIG 1 3.891 1.983 -0.216 0.00 0.00 +0.051 A ATOM 26 C LIG 1 4.756 2.143 -1.301 0.00 0.00 +0.124 A ATOM 27 C LIG 1 5.783 1.218 -1.509 0.00 0.00 +0.091 A ATOM 28 C LIG 1 5.942 0.139 -0.635 0.00 0.00 +0.124 A ATOM 29 C LIG 1 5.070 -0.010 0.447 0.00 0.00 +0.051 A BRANCH 26 30 ATOM 30 O LIG 1 4.490 3.237 -2.081 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 5.353 3.475 -3.185 0.00 0.00 +0.277 C ENDBRANCH 26 30 BRANCH 28 32 ATOM 32 O LIG 1 6.898 -0.838 -0.727 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 7.848 -0.716 -1.778 0.00 0.00 +0.277 C ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 5 23 BRANCH 10 34 ATOM 34 C LIG 1 -3.827 2.029 -0.666 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -4.434 2.641 0.496 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -4.156 3.946 0.907 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -3.412 4.798 0.300 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -3.387 5.664 0.840 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -4.862 4.087 2.109 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -4.755 5.218 2.996 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -5.495 2.889 2.417 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -5.242 2.013 1.435 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 10 34 TORSDOF 9