REMARK Name = BDB035369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.475 -0.959 0.102 0.00 0.00 -0.032 A ATOM 2 C LIG 1 1.952 -0.717 -1.191 0.00 0.00 +0.014 A ATOM 3 C LIG 1 0.598 -0.390 -1.400 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.219 -0.318 -0.277 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -1.676 -0.008 -0.165 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.940 -0.081 1.266 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.781 -0.414 1.976 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.588 -0.579 3.166 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.298 -0.560 0.991 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.626 -0.879 1.213 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.229 0.170 1.817 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -4.321 0.466 0.977 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -5.612 0.721 1.485 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.794 0.674 2.875 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.729 0.383 3.721 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.460 0.132 3.195 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.828 1.032 0.614 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -7.865 -0.059 0.600 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -7.670 -1.410 0.442 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.442 -2.135 0.258 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -8.908 -1.978 0.482 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -9.816 -1.047 0.639 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -9.164 0.157 0.712 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.481 1.433 -0.816 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.603 2.118 -1.621 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -6.682 3.151 -2.063 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.760 2.779 -1.009 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 0.099 -0.106 -2.791 0.00 0.00 +0.372 C ATOM 29 F LIG 1 0.487 -1.053 -3.689 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -1.261 -0.058 -2.875 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 3.941 -1.306 0.280 0.00 0.00 +0.120 C BRANCH 31 33 ATOM 32 C LIG 1 6.266 -0.719 -0.218 0.00 0.00 +0.074 C ATOM 33 N LIG 1 4.850 -0.243 -0.184 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 4.688 0.988 0.624 0.00 0.00 +0.100 C ATOM 35 C LIG 1 5.880 1.954 0.486 0.00 0.00 +0.099 C ATOM 36 N LIG 1 7.122 1.382 1.028 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 8.298 2.033 0.468 0.00 0.00 +0.105 C ATOM 38 C LIG 1 7.148 -0.084 0.905 0.00 0.00 +0.103 C BRANCH 32 40 ATOM 39 C LIG 1 8.273 -1.049 -1.790 0.00 0.00 +0.009 C ATOM 40 C LIG 1 6.840 -0.516 -1.658 0.00 0.00 +0.001 C ATOM 41 C LIG 1 5.973 -1.208 -2.722 0.00 0.00 +0.009 C ENDBRANCH 32 40 ENDBRANCH 31 33 ENDBRANCH 1 31 TORSDOF 8