REMARK Name = BDB064357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.357 1.599 0.609 0.00 0.00 -0.293 N ATOM 2 C LIG 1 1.473 1.408 1.661 0.00 0.00 +0.247 C ATOM 3 O LIG 1 1.870 1.205 2.810 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.005 1.355 1.428 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.644 0.379 2.230 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.023 0.166 2.195 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.784 0.958 1.340 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.192 1.941 0.524 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -0.775 2.150 0.552 0.00 0.00 -0.027 A ATOM 10 C LIG 1 -0.230 3.225 -0.370 0.00 0.00 +0.038 C ATOM 11 C LIG 1 1.265 3.361 -0.609 0.00 0.00 +0.024 C ATOM 12 C LIG 1 1.943 2.011 -0.719 0.00 0.00 +0.109 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -3.097 2.723 -0.346 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -3.548 2.232 -1.595 0.00 0.00 -0.040 A ATOM 15 C LIG 1 -3.134 0.877 -2.107 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -4.425 3.012 -2.366 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -4.840 4.258 -1.910 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -5.673 4.991 -2.661 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -4.409 4.752 -0.689 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -3.544 3.986 0.092 0.00 0.00 +0.011 A ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 3.790 1.441 0.852 0.00 0.00 +0.143 C BRANCH 21 26 ATOM 22 C LIG 1 4.426 -2.262 0.173 0.00 0.00 +0.124 A ATOM 23 C LIG 1 5.294 -2.201 -0.921 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.682 -0.962 -1.440 0.00 0.00 +0.124 A ATOM 25 C LIG 1 5.196 0.214 -0.862 0.00 0.00 +0.051 A ATOM 26 C LIG 1 4.325 0.171 0.233 0.00 0.00 -0.023 A ATOM 27 C LIG 1 3.949 -1.079 0.742 0.00 0.00 +0.051 A BRANCH 22 29 ATOM 28 C LIG 1 4.452 -4.641 0.269 0.00 0.00 +0.277 C ATOM 29 O LIG 1 3.967 -3.404 0.773 0.00 0.00 -0.495 OA ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 6.520 -0.762 -2.504 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 7.079 -1.918 -3.114 0.00 0.00 +0.277 C ENDBRANCH 24 30 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 6 32 ATOM 32 C LIG 1 -2.662 -0.914 3.037 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -3.047 -2.049 2.224 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -4.324 -2.284 1.698 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -5.420 -1.634 1.864 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -5.266 -0.851 2.497 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -4.163 -3.425 0.906 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -5.215 -3.967 0.085 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.839 -3.830 0.919 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -2.160 -3.000 1.723 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7