REMARK Name = BDB034604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.621 -0.672 -1.821 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.625 -0.724 -1.226 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.672 -0.236 -0.333 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.957 -1.164 -2.892 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.811 0.977 -0.668 0.00 0.00 -0.027 A ATOM 6 C LIG 1 3.348 1.477 0.559 0.00 0.00 +0.028 A ATOM 7 C LIG 1 2.031 1.254 0.973 0.00 0.00 +0.046 A ATOM 8 N LIG 1 1.165 0.562 0.196 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 1.621 0.085 -0.997 0.00 0.00 +0.126 A ATOM 10 C LIG 1 2.915 0.263 -1.463 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 1.536 1.798 2.291 0.00 0.00 +0.038 C ATOM 12 C LIG 1 2.124 1.296 3.590 0.00 0.00 +0.010 C ATOM 13 C LIG 1 0.724 0.917 3.213 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 5.409 2.686 -1.522 0.00 0.00 +0.029 C ATOM 15 C LIG 1 5.243 1.208 -1.136 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 6.215 0.845 -0.086 0.00 0.00 -0.290 NA ATOM 17 C LIG 1 6.253 -0.630 0.122 0.00 0.00 +0.126 C ATOM 18 C LIG 1 7.801 -0.547 0.168 0.00 0.00 +0.134 C ATOM 19 F LIG 1 8.457 -1.530 -0.498 0.00 0.00 -0.240 F ATOM 20 C LIG 1 8.411 -0.396 1.552 0.00 0.00 +0.050 C ATOM 21 C LIG 1 7.598 0.770 -0.626 0.00 0.00 +0.126 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.803 -1.319 -1.709 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -2.942 -1.247 -0.886 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -4.198 -1.784 -1.252 0.00 0.00 -0.032 A ATOM 25 C LIG 1 -4.229 -2.418 -2.516 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -3.107 -2.506 -3.344 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.895 -1.958 -2.940 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -5.544 -1.748 -0.312 0.00 0.00 +0.080 C ATOM 29 C LIG 1 -6.145 -3.157 -0.033 0.00 0.00 +0.177 C ATOM 30 O LIG 1 -7.254 -2.911 -0.930 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -6.898 -1.513 -1.031 0.00 0.00 +0.177 C BRANCH 28 32 ATOM 32 C LIG 1 -5.420 -0.913 0.973 0.00 0.00 +0.248 C ATOM 33 F LIG 1 -6.438 -1.267 1.819 0.00 0.00 -0.236 F BRANCH 32 34 ATOM 34 C LIG 1 -5.444 0.567 0.751 0.00 0.00 +0.168 A ATOM 35 N LIG 1 -6.393 1.437 1.236 0.00 0.00 -0.318 N ATOM 36 C LIG 1 -7.546 1.143 2.045 0.00 0.00 +0.151 C ATOM 37 C LIG 1 -6.025 2.677 0.812 0.00 0.00 +0.224 A ATOM 38 N LIG 1 -4.916 2.592 0.118 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -4.549 1.271 0.085 0.00 0.00 -0.132 NA ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 8