REMARK Name = BDB037784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.005 -2.553 0.568 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.123 -1.720 0.357 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.065 -0.485 -0.257 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.306 0.151 0.015 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.092 -0.657 0.745 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.164 0.029 -0.927 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.125 -1.144 -1.205 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.440 -1.855 0.785 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.214 -2.115 -0.003 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.316 -2.505 0.403 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.732 1.125 -0.023 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.055 0.923 1.333 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.590 1.960 2.103 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.817 3.202 1.524 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.337 4.193 2.263 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.514 3.429 0.188 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.974 2.396 -0.582 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.180 -3.016 1.129 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.868 -4.258 0.562 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.614 -5.388 0.905 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.681 -5.278 1.798 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.015 -4.037 2.336 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.274 -2.904 1.994 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.478 -0.713 -1.573 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.170 -0.745 -0.823 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.732 -0.063 -2.756 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.868 0.102 -3.609 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.103 0.497 -2.945 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.215 0.054 -2.215 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.477 0.646 -2.403 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.616 1.671 -3.352 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.520 2.099 -4.097 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.269 1.514 -3.895 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.684 0.189 -1.613 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.350 1.224 -1.027 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.376 -0.672 -0.601 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.600 -0.455 -2.390 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.689 1.517 -0.404 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.521 2.306 0.412 0.00 0.00 -0.276 N ATOM 40 O LIG 1 -2.252 1.968 -1.464 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -3.839 3.706 -0.064 0.00 0.00 +0.129 C ATOM 42 C LIG 1 -5.254 4.237 0.203 0.00 0.00 +0.184 C ATOM 43 O LIG 1 -4.769 5.059 1.298 0.00 0.00 -0.376 OA ATOM 44 C LIG 1 -3.400 4.848 0.863 0.00 0.00 +0.184 C ENDBRANCH 39 41 BRANCH 39 45 ATOM 45 C LIG 1 -3.962 1.889 1.759 0.00 0.00 +0.227 C BRANCH 45 46 ATOM 46 C LIG 1 -2.855 1.736 2.724 0.00 0.00 +0.082 C ATOM 47 N LIG 1 -1.988 1.612 3.487 0.00 0.00 -0.195 NA ENDBRANCH 45 46 ENDBRANCH 39 45 ENDBRANCH 4 38 BRANCH 1 49 ATOM 48 C LIG 1 0.552 -4.886 1.274 0.00 0.00 +0.025 C ATOM 49 C LIG 1 0.112 -3.488 1.695 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 10