REMARK Name = BDB047238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.203 0.059 -0.157 0.00 0.00 -0.313 N ATOM 2 C LIG 1 2.311 1.420 -0.448 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.296 2.084 0.240 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.193 3.494 0.124 0.00 0.00 +0.056 A ATOM 5 C LIG 1 2.104 4.209 -0.659 0.00 0.00 +0.131 A ATOM 6 C LIG 1 3.127 3.525 -1.308 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.543 1.106 0.965 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.256 2.137 -1.209 0.00 0.00 +0.030 A ATOM 9 C LIG 1 1.140 -0.130 0.725 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.705 -1.473 1.215 0.00 0.00 +0.064 C ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 4.728 -2.953 -1.734 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.431 -2.931 -0.371 0.00 0.00 +0.047 A ATOM 13 C LIG 1 3.595 -1.938 0.154 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.054 -0.957 -0.685 0.00 0.00 +0.047 A ATOM 15 C LIG 1 3.354 -0.975 -2.051 0.00 0.00 +0.030 A ATOM 16 C LIG 1 4.186 -1.971 -2.567 0.00 0.00 +0.047 A BRANCH 11 18 ATOM 17 C LIG 1 6.089 -4.895 -1.570 0.00 0.00 +0.277 C ATOM 18 O LIG 1 5.525 -3.864 -2.370 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 5 19 ATOM 19 O LIG 1 2.113 5.560 -0.859 0.00 0.00 -0.406 OA BRANCH 19 20 ATOM 20 C LIG 1 1.075 6.323 -0.269 0.00 0.00 +0.575 C ATOM 21 F LIG 1 -0.138 5.923 -0.710 0.00 0.00 -0.133 F ATOM 22 F LIG 1 1.240 7.619 -0.615 0.00 0.00 -0.133 F ATOM 23 F LIG 1 1.114 6.241 1.078 0.00 0.00 -0.133 F ENDBRANCH 19 20 ENDBRANCH 5 19 BRANCH 7 24 ATOM 24 C LIG 1 -0.641 1.392 1.846 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -1.892 1.082 1.054 0.00 0.00 -0.040 A ATOM 26 C LIG 1 -2.763 0.069 1.489 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -3.944 -0.229 0.800 0.00 0.00 +0.122 A ATOM 28 C LIG 1 -4.263 0.495 -0.346 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -3.419 1.516 -0.784 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.247 1.813 -0.087 0.00 0.00 +0.004 A BRANCH 27 31 ATOM 31 O LIG 1 -4.669 -1.252 1.344 0.00 0.00 -0.478 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.992 -1.494 0.861 0.00 0.00 +0.278 C ATOM 33 C LIG 1 -5.939 -2.523 -0.264 0.00 0.00 +0.064 C BRANCH 32 34 ATOM 34 C LIG 1 -6.828 -2.036 2.018 0.00 0.00 +0.346 C ATOM 35 O LIG 1 -7.583 -2.997 1.994 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -6.723 -1.301 3.147 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -7.299 -1.763 3.790 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 10