REMARK Name = BDB007889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.470 1.342 -1.153 0.00 0.00 -0.266 N ATOM 2 N LIG 1 1.715 0.997 -2.430 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 0.916 -0.069 -2.653 0.00 0.00 +0.177 A ATOM 4 C LIG 1 0.103 -0.348 -1.508 0.00 0.00 +0.086 A ATOM 5 C LIG 1 0.490 0.591 -0.570 0.00 0.00 +0.122 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 0.897 -0.813 -3.968 0.00 0.00 +0.437 C ATOM 7 F LIG 1 1.313 -2.102 -3.844 0.00 0.00 -0.164 F ATOM 8 F LIG 1 -0.344 -0.838 -4.523 0.00 0.00 -0.164 F ATOM 9 F LIG 1 1.712 -0.243 -4.901 0.00 0.00 -0.164 F ENDBRANCH 3 6 BRANCH 4 10 ATOM 10 C LIG 1 -0.892 -1.402 -1.386 0.00 0.00 +0.248 C ATOM 11 N LIG 1 -1.751 -1.272 -0.323 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -1.696 -0.458 0.272 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 -0.961 -2.317 -2.197 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -2.850 -2.184 -0.103 0.00 0.00 +0.140 C BRANCH 14 15 ATOM 15 C LIG 1 -4.111 -1.411 0.233 0.00 0.00 -0.024 A ATOM 16 C LIG 1 -4.943 -0.924 -0.806 0.00 0.00 -0.045 A ATOM 17 C LIG 1 -4.636 -1.185 -2.260 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -6.103 -0.197 -0.491 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -6.449 0.078 0.837 0.00 0.00 -0.033 A ATOM 20 C LIG 1 -5.620 -0.394 1.859 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -4.447 -1.118 1.577 0.00 0.00 -0.045 A ATOM 22 C LIG 1 -3.619 -1.606 2.737 0.00 0.00 +0.044 C BRANCH 19 23 ATOM 23 C LIG 1 -7.712 0.832 1.158 0.00 0.00 +0.113 C BRANCH 23 24 ATOM 24 N LIG 1 -8.854 -0.070 1.268 0.00 0.00 -0.326 NA ATOM 25 H LIG 1 -8.655 -0.762 1.990 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -8.941 -0.596 0.398 0.00 0.00 +0.119 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 4 10 BRANCH 1 27 ATOM 27 C LIG 1 2.187 2.459 -0.550 0.00 0.00 +0.178 C BRANCH 27 34 ATOM 28 C LIG 1 9.423 0.038 1.659 0.00 0.00 +0.065 C ATOM 29 C LIG 1 8.156 0.471 0.983 0.00 0.00 +0.039 A ATOM 30 N LIG 1 7.103 0.780 1.777 0.00 0.00 -0.252 NA ATOM 31 C LIG 1 5.954 1.173 1.200 0.00 0.00 +0.071 A ATOM 32 C LIG 1 5.806 1.271 -0.198 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.585 1.688 -0.757 0.00 0.00 +0.015 A ATOM 34 C LIG 1 3.492 2.015 0.062 0.00 0.00 -0.025 A ATOM 35 C LIG 1 3.644 1.917 1.448 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.907 0.948 -0.998 0.00 0.00 +0.012 A ATOM 37 C LIG 1 4.864 1.502 1.996 0.00 0.00 +0.028 A ATOM 38 C LIG 1 8.097 0.543 -0.402 0.00 0.00 +0.023 A ENDBRANCH 27 34 ENDBRANCH 1 27 TORSDOF 8