REMARK Name = BDB035381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.493 1.207 -0.423 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.571 2.104 -0.553 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.605 3.266 -0.917 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.788 1.387 -0.151 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.091 1.850 -0.121 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.092 0.965 0.298 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.741 -0.355 0.677 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.409 -0.811 0.638 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.439 0.093 0.215 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.037 -0.089 0.066 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.214 0.657 -0.790 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.833 0.465 -0.535 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.861 1.468 -0.707 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.298 2.714 -1.159 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.649 2.948 -1.420 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.589 1.935 -1.236 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.571 -1.970 -1.550 0.00 0.00 +0.120 C ATOM 18 C LIG 1 6.668 -0.461 -1.243 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.262 -0.539 -0.558 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.039 -1.824 -1.433 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 5.302 -0.888 0.993 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.990 -0.255 1.990 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.865 0.880 1.892 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.660 -0.900 3.143 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.804 -1.859 2.882 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.570 -1.847 1.528 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 6.930 -4.194 -0.624 0.00 0.00 +0.194 C ATOM 28 O LIG 1 7.258 -2.812 -0.598 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.044 -2.221 1.019 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.485 -2.902 -0.019 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.099 -2.970 1.440 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.129 -2.260 2.026 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.539 1.408 0.353 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.354 0.595 -0.549 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -6.014 0.726 -1.502 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.793 0.848 -0.392 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.299 0.213 0.934 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.440 -0.430 0.117 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.532 -0.311 -1.126 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.243 2.249 -0.763 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8