REMARK Name = BDB032057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.040 -1.584 -1.972 0.00 0.00 +0.217 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 -4.671 0.876 1.963 0.00 0.00 +0.152 C ATOM 3 N LIG 1 -3.677 0.519 0.966 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -3.468 1.392 -0.129 0.00 0.00 +0.260 A ATOM 5 O LIG 1 -4.075 2.445 -0.303 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.445 0.929 -1.060 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.925 1.467 -2.259 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -0.965 0.586 -2.718 0.00 0.00 +0.087 A ATOM 9 N LIG 1 -0.879 -0.466 -1.828 0.00 0.00 -0.338 N ATOM 10 C LIG 1 -1.787 -0.261 -0.827 0.00 0.00 +0.056 A ATOM 11 C LIG 1 -2.025 -1.106 0.277 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -2.967 -0.677 1.136 0.00 0.00 +0.091 A ENDBRANCH 1 9 BRANCH 1 13 ATOM 13 C LIG 1 1.110 -1.619 -0.896 0.00 0.00 +0.237 C ATOM 14 N LIG 1 1.809 -0.435 -0.754 0.00 0.00 -0.282 N ATOM 15 H LIG 1 1.497 0.370 -1.292 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 1.323 -2.659 -0.276 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.877 -0.160 0.129 0.00 0.00 +0.069 A ATOM 18 C LIG 1 3.389 1.144 0.121 0.00 0.00 +0.144 A ATOM 19 F LIG 1 2.858 2.055 -0.712 0.00 0.00 -0.204 F ATOM 20 C LIG 1 4.440 1.524 0.950 0.00 0.00 +0.040 A ATOM 21 C LIG 1 5.002 0.588 1.813 0.00 0.00 +0.003 A ATOM 22 C LIG 1 4.507 -0.717 1.834 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.449 -1.092 0.996 0.00 0.00 +0.026 A ENDBRANCH 14 17 ENDBRANCH 1 13 TORSDOF 3