REMARK Name = BDB026190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.372 -1.110 -0.141 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.080 0.268 -0.297 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.217 0.663 -0.664 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.242 -0.273 -0.894 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.933 -1.625 -0.731 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.861 -2.570 -0.942 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.656 -2.037 -0.364 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.629 -2.117 3.416 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.217 -2.405 1.964 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.360 -2.271 1.000 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.448 -3.197 1.341 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.858 -2.519 -0.392 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.955 -2.351 -1.456 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.690 -1.562 -0.773 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.613 -1.647 0.223 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.038 -1.448 1.614 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.607 0.177 -1.262 0.00 0.00 -0.024 C ATOM 18 C LIG 1 4.771 -0.468 -0.524 0.00 0.00 +0.142 C ATOM 19 N LIG 1 6.019 0.301 -0.707 0.00 0.00 -0.305 N ATOM 20 C LIG 1 6.271 0.717 -2.091 0.00 0.00 +0.111 C ATOM 21 C LIG 1 5.138 1.621 -2.590 0.00 0.00 +0.046 C ATOM 22 C LIG 1 3.777 1.126 -2.203 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 7.064 -0.091 0.087 0.00 0.00 +0.162 A ATOM 24 S LIG 1 8.649 0.619 0.009 0.00 0.00 -0.042 S ATOM 25 C LIG 1 9.183 -0.387 1.276 0.00 0.00 +0.110 A ATOM 26 C LIG 1 8.150 -1.189 1.694 0.00 0.00 +0.139 A ATOM 27 N LIG 1 6.957 -1.013 1.024 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 C LIG 1 10.500 -0.385 1.811 0.00 0.00 +0.108 C ATOM 29 N LIG 1 11.572 -0.395 2.256 0.00 0.00 -0.190 NA ENDBRANCH 25 28 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.115 1.205 -0.071 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.996 0.790 0.195 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.070 2.574 -0.192 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.128 3.283 -0.511 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.379 3.201 0.142 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.463 3.342 -0.821 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.617 3.919 -0.429 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.784 4.409 0.962 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.830 4.927 1.330 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.701 4.239 1.788 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.810 4.590 2.734 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.521 3.656 1.397 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.249 2.850 -2.218 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.324 3.084 -3.017 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.186 3.432 -2.820 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.045 1.508 -2.244 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7