REMARK Name = BDB035534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.491 1.761 -0.064 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.073 0.598 0.473 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.442 -0.446 0.831 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.516 0.841 0.596 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.501 -0.018 1.048 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.826 0.446 1.076 0.00 0.00 -0.029 A ATOM 7 C LIG 1 4.101 1.765 0.636 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.086 2.629 0.179 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.785 2.135 0.170 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.514 2.799 -0.252 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.162 1.069 -0.625 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.783 0.907 -0.360 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.861 1.965 -0.381 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.336 3.235 -0.726 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.688 3.440 -0.998 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.584 2.374 -0.938 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.026 -1.847 -1.645 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.134 -0.317 -1.814 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.198 -0.152 -0.562 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.697 -1.596 -0.899 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.006 -0.102 0.807 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.514 -0.210 2.080 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.152 -0.388 2.502 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.591 -0.111 2.906 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.681 0.046 2.193 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.313 0.055 0.870 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.122 -2.813 -3.577 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.912 -2.622 -2.857 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.387 4.026 -0.291 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.672 4.962 0.394 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.693 4.382 -0.163 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.070 4.208 -1.603 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.970 -0.450 1.541 0.00 0.00 +0.081 C ATOM 34 C LIG 1 4.745 -0.917 2.986 0.00 0.00 +0.029 C BRANCH 33 35 ATOM 35 N LIG 1 5.092 -1.590 0.625 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 4.589 -2.395 0.994 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.471 -1.873 0.188 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.365 -2.884 -0.993 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.282 -1.688 -1.963 0.00 0.00 +0.004 C ATOM 40 C LIG 1 6.923 -0.819 -0.863 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.427 -2.274 1.291 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 6 33 TORSDOF 8