REMARK Name = BDB032170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.968 -0.520 -2.284 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.747 -0.357 -1.153 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.088 -0.926 -0.836 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.323 -0.460 0.525 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.345 0.430 0.941 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.309 1.096 1.958 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.319 0.455 -0.106 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.120 1.140 -0.131 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.316 0.996 -1.269 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.741 0.157 -2.332 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.627 -0.606 1.161 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.534 0.595 0.850 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.470 1.244 -0.194 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.530 0.851 1.765 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.146 1.620 1.542 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.845 0.133 2.892 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.845 0.401 3.553 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.957 -1.045 3.216 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -5.553 -0.846 2.669 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.733 -1.459 -4.453 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -2.479 -1.340 -3.247 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.018 1.696 -1.346 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.001 0.810 -0.804 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.266 1.301 -0.855 0.00 0.00 +0.405 C ATOM 25 N LIG 1 4.099 0.378 -0.290 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.616 -0.445 0.044 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.558 2.385 -1.335 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.492 0.449 -0.121 0.00 0.00 +0.043 A ATOM 29 C LIG 1 6.120 -0.641 0.500 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.507 -0.664 0.712 0.00 0.00 +0.134 A ATOM 31 C LIG 1 8.272 0.420 0.294 0.00 0.00 +0.084 A ATOM 32 C LIG 1 7.646 1.500 -0.322 0.00 0.00 +0.129 A ATOM 33 F LIG 1 8.390 2.539 -0.724 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.271 1.526 -0.533 0.00 0.00 +0.062 A BRANCH 30 35 ATOM 35 O LIG 1 7.965 -1.795 1.326 0.00 0.00 -0.406 OA BRANCH 35 36 ATOM 36 C LIG 1 9.357 -1.895 1.581 0.00 0.00 +0.575 C ATOM 37 F LIG 1 9.773 -0.904 2.397 0.00 0.00 -0.133 F ATOM 38 F LIG 1 9.600 -3.076 2.192 0.00 0.00 -0.133 F ATOM 39 F LIG 1 10.063 -1.863 0.432 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8