REMARK Name = BDB037435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.991 1.084 1.028 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -0.837 0.318 0.749 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.516 0.723 0.295 0.00 0.00 +0.083 C ATOM 4 C LIG 1 1.558 -0.164 0.996 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.162 -1.660 1.113 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.195 -1.997 1.304 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.062 -2.511 1.140 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.143 -0.971 1.141 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.526 -0.965 1.329 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.972 0.309 1.519 0.00 0.00 -0.167 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.476 0.671 -1.229 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.531 1.884 -1.945 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.506 1.898 -3.341 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.430 0.700 -4.035 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.408 0.710 -5.374 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.380 -0.511 -3.360 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.404 -0.528 -1.962 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.490 -1.999 1.212 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.689 -1.909 1.933 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.657 -2.906 1.803 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.444 -3.977 0.936 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.272 -4.045 0.184 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.299 -3.051 0.312 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.904 -0.076 0.422 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.394 -0.961 0.323 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.625 1.094 0.462 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.172 2.138 0.918 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.018 1.033 -0.057 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.405 0.107 -1.036 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.729 0.080 -1.507 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.652 1.007 -0.999 0.00 0.00 +0.012 A ATOM 32 C LIG 1 7.265 1.940 -0.036 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.951 1.956 0.431 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.141 -0.901 -2.579 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.411 -2.051 -2.554 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.995 -0.391 -3.831 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.443 -1.286 -2.477 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -2.185 2.574 0.883 0.00 0.00 +0.121 C ATOM 39 C LIG 1 -1.846 3.311 2.178 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 40 C LIG 1 -3.979 3.943 -0.116 0.00 0.00 +0.237 C ATOM 41 N LIG 1 -3.565 2.798 0.495 0.00 0.00 -0.304 N ATOM 42 H LIG 1 -4.226 2.104 0.822 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -3.239 4.877 -0.403 0.00 0.00 -0.271 OA BRANCH 40 45 ATOM 44 C LIG 1 -6.274 3.005 -0.530 0.00 0.00 +0.013 C ATOM 45 C LIG 1 -5.436 4.040 -0.389 0.00 0.00 +0.059 C ENDBRANCH 40 45 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 6 46 ATOM 46 C LIG 1 -0.459 -3.318 1.880 0.00 0.00 +0.112 C ATOM 47 C LIG 1 -0.207 -4.478 0.924 0.00 0.00 +0.025 C ENDBRANCH 6 46 TORSDOF 9