REMARK Name = BDB024303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.963 0.406 -0.046 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.013 0.710 -1.536 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.325 -0.305 -2.454 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.344 -0.039 -3.825 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.051 1.241 -4.292 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.744 2.258 -3.392 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.725 1.996 -2.022 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.494 0.112 -0.307 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.285 -0.046 -1.285 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.521 0.438 0.563 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.370 0.668 1.767 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.639 -0.239 0.200 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.926 -0.428 -0.987 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.579 -0.314 -1.142 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.861 0.017 -0.054 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.452 0.231 1.177 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.842 0.101 1.294 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 8.217 -1.114 -0.125 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.858 -0.849 -0.795 0.00 0.00 +0.136 C ATOM 20 N LIG 1 6.001 -0.373 0.293 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.785 -0.073 1.486 0.00 0.00 +0.108 C ATOM 22 C LIG 1 8.229 -0.079 0.995 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 10.544 -1.333 -0.531 0.00 0.00 +0.194 C ATOM 24 O LIG 1 9.282 -0.937 -1.053 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.808 1.345 0.728 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.498 1.310 1.703 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.247 1.085 0.630 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.772 -0.178 1.360 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.454 -0.170 2.860 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -6.268 -0.348 1.117 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.728 -1.413 0.327 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -8.094 -1.583 0.084 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -9.020 -0.690 0.627 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -8.574 0.376 1.412 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.208 0.546 1.654 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -10.421 -0.865 0.378 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -11.555 -1.009 0.177 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10