REMARK Name = BDB053533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 -1.025 -0.711 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -0.736 -0.404 0.302 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.010 -0.059 1.727 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.048 1.045 2.237 0.00 0.00 +0.043 C ATOM 5 C LIG 1 1.356 0.952 1.693 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.627 0.386 0.457 0.00 0.00 +0.097 A ATOM 7 N LIG 1 2.841 0.334 -0.109 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 3.851 0.880 0.588 0.00 0.00 +0.220 A ATOM 9 N LIG 1 3.688 1.464 1.787 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 2.449 1.496 2.314 0.00 0.00 +0.120 A ATOM 11 C LIG 1 0.514 -0.211 -0.256 0.00 0.00 +0.091 A ATOM 12 N LIG 1 0.439 -0.708 -1.523 0.00 0.00 -0.264 N ATOM 13 C LIG 1 1.482 -0.762 -2.520 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -0.787 -1.182 -1.832 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -3.745 -0.463 -0.106 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -3.374 0.462 -0.265 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -2.929 -1.452 -0.642 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -3.308 -2.536 -1.069 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -5.941 0.528 -0.388 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -5.148 -0.565 0.050 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -5.767 -1.669 0.685 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -7.172 -1.684 0.804 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -7.952 -0.635 0.330 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.340 0.466 -0.254 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -5.020 1.503 -2.527 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.371 1.758 -1.068 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -5.020 -2.797 1.372 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -5.289 -4.168 0.762 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 5.093 0.803 -0.026 0.00 0.00 -0.281 N ATOM 30 H LIG 1 5.016 0.320 -0.910 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 6.394 1.211 0.311 0.00 0.00 +0.076 A ATOM 32 C LIG 1 7.446 0.934 -0.599 0.00 0.00 +0.151 A ATOM 33 C LIG 1 8.757 1.323 -0.302 0.00 0.00 +0.048 A ATOM 34 C LIG 1 9.037 1.990 0.891 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.014 2.269 1.789 0.00 0.00 +0.002 A ATOM 36 C LIG 1 6.704 1.882 1.500 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 7.055 0.274 -1.740 0.00 0.00 -0.404 OA BRANCH 37 38 ATOM 38 C LIG 1 8.046 -0.022 -2.707 0.00 0.00 +0.575 C ATOM 39 F LIG 1 8.624 1.103 -3.178 0.00 0.00 -0.133 F ATOM 40 F LIG 1 8.992 -0.843 -2.203 0.00 0.00 -0.133 F ATOM 41 F LIG 1 7.455 -0.654 -3.746 0.00 0.00 -0.133 F ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 8