REMARK Name = BDB028038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.482 -1.380 -1.658 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.504 -0.815 -2.956 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.350 -0.259 -3.542 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.174 -0.295 -2.796 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.193 0.198 -3.145 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.986 -0.126 -1.966 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.208 -0.755 -0.987 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.498 -1.183 0.115 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.156 -0.853 -1.524 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.281 -1.396 -0.933 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.373 0.180 -1.883 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.126 -0.112 -0.735 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.508 0.172 -0.614 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.115 0.786 -1.721 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.395 1.093 -2.873 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.036 0.790 -2.954 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.322 -0.180 0.723 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.725 -0.838 0.574 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.416 -1.781 1.639 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.999 -1.549 1.397 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.246 0.969 1.749 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -6.224 2.065 1.485 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -7.293 2.378 2.288 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.675 1.759 3.529 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.936 3.411 1.680 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.311 3.724 0.571 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.233 2.881 0.451 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.373 0.340 -4.922 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.614 0.390 -5.478 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.901 1.616 -4.939 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.595 -0.355 -5.797 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.740 -1.975 -1.056 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 7.551 -2.301 3.008 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.989 -1.389 1.919 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.074 -2.176 0.957 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.124 -1.335 0.208 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.625 0.030 0.039 0.00 0.00 +0.088 C ATOM 38 C LIG 1 5.713 0.735 1.409 0.00 0.00 +0.000 C ATOM 39 C LIG 1 4.364 1.334 1.819 0.00 0.00 +0.009 C ATOM 40 C LIG 1 6.235 -0.202 2.518 0.00 0.00 +0.009 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7