REMARK Name = BDB037582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.628 -2.147 0.034 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.393 -1.004 0.315 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.872 0.277 0.378 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.976 1.159 0.516 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.117 0.451 0.545 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.587 0.564 0.284 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.374 -0.713 0.634 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.740 -0.850 0.567 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.774 -1.975 -0.027 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.526 -2.823 -0.526 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.834 1.138 -1.110 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.414 2.418 -1.211 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.683 2.993 -2.454 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.379 2.290 -3.610 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.633 2.838 -4.805 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.813 1.024 -3.545 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.543 0.448 -2.301 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 4 18 ATOM 18 C LIG 1 -1.941 2.632 0.620 0.00 0.00 +0.268 C ATOM 19 N LIG 1 -3.119 3.314 0.377 0.00 0.00 -0.280 N ATOM 20 C LIG 1 -3.178 4.752 0.085 0.00 0.00 +0.181 C ATOM 21 C LIG 1 -4.528 4.459 -0.593 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -4.173 2.971 -0.571 0.00 0.00 +0.112 C ATOM 23 O LIG 1 -0.912 3.241 0.911 0.00 0.00 -0.268 OA BRANCH 20 24 ATOM 24 C LIG 1 -3.245 5.574 1.276 0.00 0.00 +0.085 C ATOM 25 N LIG 1 -3.334 6.252 2.214 0.00 0.00 -0.195 NA ENDBRANCH 20 24 ENDBRANCH 4 18 BRANCH 8 26 ATOM 26 C LIG 1 -3.764 -1.776 1.046 0.00 0.00 +0.114 C ATOM 27 C LIG 1 -3.304 -2.704 2.177 0.00 0.00 +0.055 C ATOM 28 C LIG 1 -4.408 -3.681 2.547 0.00 0.00 +0.162 C ATOM 29 O LIG 1 -4.883 -4.351 1.382 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -5.533 -3.460 0.479 0.00 0.00 +0.162 C ATOM 31 C LIG 1 -4.535 -2.462 -0.084 0.00 0.00 +0.055 C ENDBRANCH 8 26 BRANCH 7 32 ATOM 32 N LIG 1 2.800 -0.644 0.303 0.00 0.00 -0.299 N ATOM 33 H LIG 1 3.161 -1.412 -0.255 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.660 0.181 0.984 0.00 0.00 +0.245 C ATOM 35 O LIG 1 3.295 0.933 1.880 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 5.095 0.104 0.601 0.00 0.00 +0.037 A ATOM 37 C LIG 1 6.062 0.430 1.562 0.00 0.00 +0.025 A ATOM 38 C LIG 1 7.430 0.373 1.250 0.00 0.00 +0.056 A ATOM 39 C LIG 1 7.813 0.009 -0.050 0.00 0.00 +0.012 A ATOM 40 C LIG 1 6.852 -0.300 -1.015 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.495 -0.251 -0.693 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 8.464 0.733 2.288 0.00 0.00 +0.417 C ATOM 43 F LIG 1 8.124 0.325 3.542 0.00 0.00 -0.166 F ATOM 44 F LIG 1 9.685 0.181 2.039 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.672 2.076 2.372 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -1.330 -3.276 -2.058 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -1.134 -3.388 -0.552 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8