REMARK Name = BDB059984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.033 -0.838 -1.374 0.00 0.00 +0.187 A ATOM 2 N LIG 1 0.975 -0.219 -0.715 0.00 0.00 -0.275 N ATOM 3 C LIG 1 -0.163 -0.631 -1.390 0.00 0.00 +0.142 A ATOM 4 N LIG 1 0.189 -1.412 -2.392 0.00 0.00 -0.133 NA ATOM 5 N LIG 1 1.543 -1.558 -2.370 0.00 0.00 -0.127 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 1.041 0.540 0.467 0.00 0.00 +0.085 A ATOM 7 C LIG 1 0.662 1.880 0.450 0.00 0.00 +0.147 A ATOM 8 F LIG 1 0.271 2.471 -0.686 0.00 0.00 -0.203 F ATOM 9 C LIG 1 0.723 2.640 1.614 0.00 0.00 +0.040 A ATOM 10 C LIG 1 1.175 2.058 2.799 0.00 0.00 +0.003 A ATOM 11 C LIG 1 1.576 0.719 2.813 0.00 0.00 +0.002 A ATOM 12 C LIG 1 1.518 -0.045 1.646 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 16 ATOM 13 C LIG 1 6.152 -0.362 -0.541 0.00 0.00 +0.139 A ATOM 14 C LIG 1 5.174 0.530 -0.126 0.00 0.00 +0.157 A ATOM 15 N LIG 1 3.848 0.386 -0.382 0.00 0.00 -0.248 NA ATOM 16 C LIG 1 3.462 -0.705 -1.082 0.00 0.00 +0.109 A ATOM 17 C LIG 1 4.373 -1.649 -1.544 0.00 0.00 +0.035 A ATOM 18 C LIG 1 5.728 -1.474 -1.262 0.00 0.00 +0.049 A BRANCH 13 19 ATOM 19 O LIG 1 7.494 -0.289 -0.317 0.00 0.00 -0.491 OA BRANCH 19 21 ATOM 20 C LIG 1 8.024 0.741 1.814 0.00 0.00 +0.048 C ATOM 21 C LIG 1 8.021 0.884 0.302 0.00 0.00 +0.226 C ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 1 16 BRANCH 3 22 ATOM 22 C LIG 1 -1.685 -0.451 -1.090 0.00 0.00 +0.061 C ATOM 23 C LIG 1 -2.332 0.868 -1.547 0.00 0.00 +0.033 C ATOM 24 C LIG 1 -3.244 0.788 -0.299 0.00 0.00 +0.075 C ATOM 25 C LIG 1 -2.192 -0.161 0.331 0.00 0.00 +0.033 C BRANCH 24 26 ATOM 26 N LIG 1 -4.556 0.155 -0.559 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -4.909 0.102 -1.507 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -5.455 -0.090 0.472 0.00 0.00 +0.263 C ATOM 29 O LIG 1 -5.202 0.153 1.647 0.00 0.00 -0.269 OA BRANCH 28 30 ATOM 30 C LIG 1 -6.771 -0.671 0.057 0.00 0.00 +0.125 A ATOM 31 N LIG 1 -7.872 -0.151 0.653 0.00 0.00 -0.250 NA ATOM 32 C LIG 1 -9.064 -0.668 0.287 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -9.210 -1.678 -0.651 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -8.066 -2.197 -1.250 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.820 -1.689 -0.892 0.00 0.00 +0.033 A ENDBRANCH 28 30 ENDBRANCH 24 26 ENDBRANCH 3 22 TORSDOF 7