REMARK Name = BDB035832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.030 1.655 -0.420 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.397 0.507 0.068 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.851 -0.562 0.435 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.041 0.799 0.113 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.078 -0.031 0.499 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.381 0.483 0.452 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.590 1.815 0.015 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.522 2.647 -0.371 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.241 2.107 -0.313 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.074 2.730 -0.652 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.703 0.843 -0.778 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.307 0.726 -0.589 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.422 1.814 -0.657 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.958 3.068 -0.969 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.329 3.229 -1.165 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.184 2.134 -1.062 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.514 -2.137 -1.706 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.680 -0.611 -1.873 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.694 -0.411 -0.666 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.162 -1.839 -1.021 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.441 -0.382 0.738 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.888 -0.465 1.988 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.502 -0.591 2.348 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.930 -0.400 2.862 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.056 -0.287 2.199 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.749 -0.273 0.860 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.662 -3.145 -3.586 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.428 -2.911 -2.921 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.749 4.058 -0.843 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.401 4.224 -2.149 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.038 4.478 -0.737 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.001 4.958 -0.146 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.564 -0.376 0.847 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.363 -0.694 -0.331 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 4.790 -1.254 -0.963 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.694 -1.260 -0.110 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.656 -0.223 0.505 0.00 0.00 +0.025 C ATOM 38 C LIG 1 8.205 -1.364 1.419 0.00 0.00 -0.032 C ATOM 39 C LIG 1 8.401 -0.947 2.874 0.00 0.00 +0.011 C ATOM 40 C LIG 1 9.448 -2.065 0.868 0.00 0.00 +0.011 C ATOM 41 C LIG 1 6.868 -2.127 1.151 0.00 0.00 +0.025 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8