REMARK Name = BDB026258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.755 -1.113 -0.166 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.144 -0.027 -0.020 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.491 -0.257 0.273 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.968 -1.563 0.445 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.072 -2.628 0.306 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.491 -3.892 0.469 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.271 -2.413 0.004 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.125 -3.295 -2.329 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.575 -1.823 -2.318 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.798 -1.555 -1.526 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.863 -2.527 -1.709 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.542 -1.066 -0.148 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.583 -1.456 0.910 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.121 -1.401 0.388 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.092 -0.841 -0.503 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.385 -0.888 -1.952 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.389 -1.788 0.760 0.00 0.00 -0.024 C ATOM 18 C LIG 1 3.906 -1.223 2.072 0.00 0.00 +0.142 C ATOM 19 N LIG 1 5.363 -1.036 2.001 0.00 0.00 -0.305 N ATOM 20 C LIG 1 6.065 -2.256 1.568 0.00 0.00 +0.111 C ATOM 21 C LIG 1 5.654 -2.631 0.134 0.00 0.00 +0.046 C ATOM 22 C LIG 1 4.184 -2.424 -0.124 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 5.893 0.158 1.587 0.00 0.00 +0.162 A ATOM 24 S LIG 1 5.119 1.695 1.830 0.00 0.00 -0.042 S ATOM 25 C LIG 1 6.413 2.492 1.061 0.00 0.00 +0.110 A ATOM 26 C LIG 1 7.363 1.572 0.690 0.00 0.00 +0.139 A ATOM 27 N LIG 1 7.070 0.260 0.999 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 C LIG 1 6.492 3.895 0.851 0.00 0.00 +0.108 C ATOM 29 N LIG 1 6.582 5.038 0.671 0.00 0.00 -0.190 NA ENDBRANCH 25 28 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.421 1.259 -0.165 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.428 1.217 -0.318 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.203 2.478 -0.075 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.398 2.685 0.101 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.722 3.631 -0.305 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -1.917 3.920 0.485 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -2.658 5.005 0.183 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -2.273 5.904 -0.934 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -2.952 6.881 -1.219 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.124 5.563 -1.600 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -0.845 6.186 -2.350 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.360 4.464 -1.296 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.281 3.036 1.638 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -1.209 2.754 2.421 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.764 1.846 1.190 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7