REMARK Name = BDB019871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.717 0.592 -0.703 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.392 0.276 -1.040 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.193 -0.921 -0.610 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.568 -1.844 0.118 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.903 -1.572 0.448 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.450 -0.339 0.056 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.793 3.119 -0.867 0.00 0.00 +0.146 A ATOM 8 C LIG 1 -2.339 1.852 -1.157 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -3.523 1.798 -1.911 0.00 0.00 +0.032 A ATOM 10 C LIG 1 -4.110 2.975 -2.342 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -3.608 4.196 -2.080 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -2.466 4.238 -1.353 0.00 0.00 +0.156 A BRANCH 7 14 ATOM 13 C LIG 1 -0.151 4.433 0.257 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -0.641 3.153 -0.124 0.00 0.00 -0.493 OA ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 15 ATOM 15 C LIG 1 1.611 -1.258 -0.912 0.00 0.00 +0.245 C ATOM 16 N LIG 1 2.464 -0.192 -1.082 0.00 0.00 -0.303 N ATOM 17 H LIG 1 2.151 0.738 -0.852 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.962 -2.431 -0.957 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.902 -0.377 -1.244 0.00 0.00 +0.125 C BRANCH 19 20 ATOM 20 C LIG 1 4.647 -0.594 0.073 0.00 0.00 +0.062 A ATOM 21 N LIG 1 5.796 -1.319 0.011 0.00 0.00 -0.258 NA ATOM 22 C LIG 1 6.473 -1.529 1.160 0.00 0.00 +0.111 A ATOM 23 C LIG 1 6.077 -1.033 2.390 0.00 0.00 +0.023 A ATOM 24 C LIG 1 4.916 -0.266 2.455 0.00 0.00 -0.047 A ATOM 25 C LIG 1 4.422 0.266 3.766 0.00 0.00 +0.044 C ATOM 26 C LIG 1 4.188 -0.055 1.280 0.00 0.00 +0.028 A ENDBRANCH 19 20 BRANCH 19 27 ATOM 27 C LIG 1 4.404 0.801 -2.057 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.746 1.473 -1.870 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.486 2.205 -1.497 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 30 ATOM 30 C LIG 1 -2.689 -2.584 1.258 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.116 -2.543 1.002 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.738 -2.937 -0.190 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -4.220 -3.318 -1.301 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -3.202 -3.287 -1.228 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.104 -2.829 0.087 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -7.128 -3.264 -0.830 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.293 -2.443 1.404 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.087 -2.264 1.960 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8