REMARK Name = BDB021849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.285 0.163 -0.957 0.00 0.00 -0.278 N ATOM 2 C LIG 1 0.459 -0.546 -0.008 0.00 0.00 +0.307 C ATOM 3 N LIG 1 1.813 -0.289 -0.039 0.00 0.00 -0.269 N ATOM 4 H LIG 1 2.177 -0.056 -0.949 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -0.061 -1.345 0.765 0.00 0.00 -0.252 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 2.769 -0.670 0.926 0.00 0.00 +0.036 A ATOM 7 C LIG 1 4.123 -0.578 0.567 0.00 0.00 +0.039 A ATOM 8 C LIG 1 5.149 -0.915 1.471 0.00 0.00 +0.074 A ATOM 9 C LIG 1 4.779 -1.340 2.750 0.00 0.00 +0.136 A ATOM 10 F LIG 1 5.702 -1.676 3.663 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.440 -1.425 3.124 0.00 0.00 +0.041 A ATOM 12 C LIG 1 2.436 -1.087 2.215 0.00 0.00 +0.026 A BRANCH 8 13 ATOM 13 C LIG 1 6.556 -0.822 1.094 0.00 0.00 +0.231 A ATOM 14 O LIG 1 6.812 -0.412 -0.196 0.00 0.00 -0.435 OA ATOM 15 C LIG 1 8.173 -0.413 -0.283 0.00 0.00 +0.156 A ATOM 16 C LIG 1 8.675 -0.816 0.942 0.00 0.00 +0.110 A ATOM 17 C LIG 1 10.062 -0.899 1.113 0.00 0.00 +0.031 A ATOM 18 C LIG 1 10.883 -0.567 0.024 0.00 0.00 +0.002 A ATOM 19 C LIG 1 10.334 -0.163 -1.201 0.00 0.00 +0.004 A ATOM 20 C LIG 1 8.948 -0.075 -1.385 0.00 0.00 +0.048 A ATOM 21 N LIG 1 7.641 -1.071 1.805 0.00 0.00 -0.209 NA ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 25 ATOM 22 N LIG 1 -4.064 -1.848 -0.409 0.00 0.00 -0.300 NA ATOM 23 C LIG 1 -3.328 -1.116 0.623 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -2.585 0.122 0.117 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -1.720 -0.164 -1.124 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -1.944 -1.575 -1.686 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -3.443 -1.865 -1.732 0.00 0.00 +0.086 C BRANCH 22 28 ATOM 28 C LIG 1 -5.529 -1.706 -0.434 0.00 0.00 +0.054 C ATOM 29 C LIG 1 -6.128 -2.421 0.783 0.00 0.00 +0.024 C BRANCH 28 30 ATOM 30 C LIG 1 -6.005 -0.241 -0.567 0.00 0.00 +0.018 C BRANCH 30 32 ATOM 31 C LIG 1 -8.276 0.227 0.504 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -7.517 -0.081 -0.779 0.00 0.00 -0.002 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 1 25 BRANCH 1 33 ATOM 33 C LIG 1 0.156 1.440 -1.538 0.00 0.00 +0.144 C BRANCH 33 34 ATOM 34 C LIG 1 -0.385 2.643 -0.800 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -1.338 3.479 -1.401 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -1.841 4.587 -0.718 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.398 4.872 0.572 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -0.451 4.050 1.180 0.00 0.00 +0.000 A ATOM 39 C LIG 1 0.054 2.942 0.498 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8