REMARK Name = BDB011063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.433 1.457 -0.537 0.00 0.00 +0.156 A ATOM 2 N LIG 1 -0.625 0.366 -0.846 0.00 0.00 -0.321 N ATOM 3 C LIG 1 -1.426 -0.768 -0.825 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.671 -0.301 -0.444 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.756 -1.068 -0.265 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.524 -2.363 -0.489 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.357 -2.925 -0.874 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.277 -2.132 -1.064 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.667 1.046 -0.288 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.670 -3.277 -0.302 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.418 -4.592 -0.537 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.609 -5.202 -0.299 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -5.832 -6.395 -0.393 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -6.483 -4.214 0.060 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -7.455 -4.349 0.301 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.888 -2.993 0.059 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.076 -2.805 -1.523 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.328 -2.764 -2.864 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.484 -3.432 -3.260 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 2.008 -3.370 -4.893 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 2.204 -4.133 -2.307 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.840 -4.215 -1.005 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.703 -3.568 -0.652 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -1.785 3.701 -1.580 0.00 0.00 +0.063 C ATOM 25 C LIG 1 -1.026 2.929 -0.490 0.00 0.00 +0.210 C ATOM 26 F LIG 1 0.292 3.071 -0.857 0.00 0.00 -0.227 F BRANCH 25 27 ATOM 27 C LIG 1 -1.246 3.508 0.910 0.00 0.00 +0.120 A ATOM 28 C LIG 1 -2.511 3.856 1.381 0.00 0.00 +0.148 A ATOM 29 F LIG 1 -3.606 3.735 0.621 0.00 0.00 -0.203 F ATOM 30 C LIG 1 -2.656 4.355 2.671 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -1.534 4.500 3.477 0.00 0.00 +0.022 A ATOM 32 C LIG 1 -0.307 4.138 2.953 0.00 0.00 +0.111 A ATOM 33 N LIG 1 -0.138 3.650 1.703 0.00 0.00 -0.253 NA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 0.796 0.370 -1.164 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.703 -0.083 -0.002 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.766 0.968 1.119 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.000 0.774 1.992 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.292 1.008 1.188 0.00 0.00 -0.014 C ATOM 39 C LIG 1 5.457 0.254 1.830 0.00 0.00 +0.007 C ATOM 40 C LIG 1 4.133 0.641 -0.299 0.00 0.00 +0.003 C ATOM 41 C LIG 1 3.108 -0.469 -0.513 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6