REMARK Name = BDB003304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.677 -3.212 -0.371 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.669 -2.829 0.443 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -1.522 -1.509 0.699 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.414 -0.529 0.179 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.451 -0.971 -0.667 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.349 -0.041 -1.210 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -4.235 1.322 -0.919 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.233 1.799 -0.068 0.00 0.00 -0.019 A ATOM 9 C LIG 1 -2.341 0.859 0.471 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.578 -2.331 -0.949 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 -0.437 -1.111 1.529 0.00 0.00 -0.284 N ATOM 12 C LIG 1 0.780 -0.533 1.070 0.00 0.00 +0.039 A ATOM 13 C LIG 1 1.880 -0.383 1.939 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.067 0.219 1.485 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.190 0.690 0.172 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.104 0.566 -0.706 0.00 0.00 +0.027 A ATOM 17 C LIG 1 1.851 -0.925 3.346 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.447 -1.298 3.794 0.00 0.00 +0.024 C ATOM 19 C LIG 1 0.924 -0.055 -0.245 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -0.269 -2.029 2.667 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.445 1.296 -0.222 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.269 0.822 -1.219 0.00 0.00 +0.116 A ATOM 23 N LIG 1 6.350 1.654 -1.244 0.00 0.00 -0.274 N ATOM 24 C LIG 1 7.492 1.569 -2.122 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.292 2.636 -0.325 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.138 2.406 0.309 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.158 1.061 -2.130 0.00 0.00 +0.372 C ATOM 28 F LIG 1 2.815 0.201 -2.959 0.00 0.00 -0.204 F ATOM 29 F LIG 1 0.920 1.219 -2.688 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 1 33 ATOM 30 C LIG 1 -3.027 -6.426 -2.335 0.00 0.00 +0.128 C ATOM 31 N LIG 1 -3.047 -5.038 -1.948 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.876 -4.348 -2.669 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -2.788 -4.681 -0.632 0.00 0.00 +0.262 C ATOM 34 O LIG 1 -2.642 -5.498 0.270 0.00 0.00 -0.269 OA ENDBRANCH 1 33 BRANCH 8 35 ATOM 35 C LIG 1 -3.098 3.230 0.240 0.00 0.00 -0.017 C ATOM 36 C LIG 1 -1.921 3.808 0.955 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -2.131 5.231 0.993 0.00 0.00 -0.371 OA ATOM 38 C LIG 1 -3.430 5.512 0.454 0.00 0.00 +0.188 C ATOM 39 C LIG 1 -3.956 4.217 -0.035 0.00 0.00 +0.007 C ENDBRANCH 8 35 TORSDOF 5