REMARK Name = BDB037313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.464 1.204 0.174 0.00 0.00 +0.074 A ATOM 2 C LIG 1 -1.153 0.135 1.058 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.476 -0.046 2.379 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.664 -1.062 2.175 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.071 -2.384 1.606 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.928 -2.281 0.598 0.00 0.00 -0.254 N ATOM 7 O LIG 1 0.573 -3.470 1.912 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.454 -1.006 0.332 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.317 -0.574 -0.665 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.048 0.735 -0.948 0.00 0.00 -0.169 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.224 1.292 3.040 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.312 1.968 3.638 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.136 3.196 4.279 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.130 3.757 4.342 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.301 4.934 4.957 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.221 3.110 3.780 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.047 1.880 3.137 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.441 -1.200 -1.261 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.133 -2.216 -0.589 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.266 -2.792 -1.169 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.721 -2.344 -2.409 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.056 -1.310 -3.065 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.925 -0.729 -2.490 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 1.695 -0.650 1.206 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.394 -0.451 0.260 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.038 -0.786 1.475 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.481 -1.005 2.595 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.963 -0.582 0.327 0.00 0.00 +0.037 A ATOM 29 C LIG 1 3.618 -0.960 -0.977 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.513 -0.746 -2.041 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.762 -0.164 -1.773 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.113 0.197 -0.471 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.218 -0.017 0.577 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 4.158 -1.179 -3.443 0.00 0.00 +0.417 C ATOM 35 F LIG 1 4.616 -0.326 -4.400 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.676 -2.401 -3.749 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.813 -1.284 -3.643 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -1.050 -3.446 -0.285 0.00 0.00 +0.112 C ATOM 39 C LIG 1 0.021 -3.446 -1.368 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -1.156 2.677 0.301 0.00 0.00 +0.099 C BRANCH 40 42 ATOM 41 C LIG 1 -2.087 4.407 -1.299 0.00 0.00 +0.020 C ATOM 42 C LIG 1 -1.208 3.440 -0.994 0.00 0.00 +0.035 C BRANCH 42 43 ATOM 43 C LIG 1 -0.157 3.149 -1.989 0.00 0.00 +0.333 C ATOM 44 O LIG 1 0.789 3.886 -2.207 0.00 0.00 -0.245 OA BRANCH 43 45 ATOM 45 O LIG 1 -0.379 1.989 -2.637 0.00 0.00 -0.477 OA ATOM 46 H LIG 1 -1.168 1.517 -2.272 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 10