REMARK Name = BDB022755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.900 -2.558 -2.189 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.734 -1.652 -1.462 0.00 0.00 +0.080 A ATOM 3 C LIG 1 1.081 -1.486 -0.255 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.057 -2.236 -0.321 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.187 -2.904 -1.480 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.978 -1.048 -1.915 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.677 -0.357 -0.962 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.381 -0.340 0.007 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 3.376 -1.159 -3.071 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.954 0.262 -1.245 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 5.576 0.850 -0.003 0.00 0.00 +0.094 A ATOM 12 C LIG 1 6.778 1.544 -0.108 0.00 0.00 +0.149 A ATOM 13 F LIG 1 7.362 1.709 -1.305 0.00 0.00 -0.203 F ATOM 14 C LIG 1 7.374 2.072 1.038 0.00 0.00 -0.012 A ATOM 15 C LIG 1 8.654 2.843 0.941 0.00 0.00 +0.047 C ATOM 16 C LIG 1 6.723 1.895 2.261 0.00 0.00 +0.026 A ATOM 17 C LIG 1 5.525 1.194 2.286 0.00 0.00 +0.111 A ATOM 18 N LIG 1 4.934 0.668 1.190 0.00 0.00 -0.255 NA ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 1.159 -3.089 -3.576 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 -0.924 -3.698 -4.542 0.00 0.00 +0.194 C ATOM 21 O LIG 1 0.300 -4.166 -3.990 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -1.063 -2.387 0.723 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 -2.046 -1.243 0.710 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -2.029 -0.268 1.716 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -2.938 0.793 1.689 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.878 0.904 0.654 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.899 -0.075 -0.349 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.992 -1.136 -0.321 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -4.856 2.057 0.631 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 -5.940 1.897 1.599 0.00 0.00 -0.311 N ATOM 31 C LIG 1 -5.852 2.570 2.819 0.00 0.00 +0.252 A ATOM 32 O LIG 1 -4.924 3.299 3.158 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -6.990 2.367 3.758 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -8.009 1.565 3.423 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -8.020 0.892 2.150 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -7.009 1.070 1.291 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9