REMARK Name = BDB053979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.100 0.829 -0.759 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.774 1.527 -1.420 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -3.943 0.251 -0.181 0.00 0.00 +0.123 A ATOM 4 C LIG 1 -3.363 0.480 1.071 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -1.995 0.657 1.238 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.169 0.614 0.107 0.00 0.00 +0.041 A ATOM 7 C LIG 1 0.207 0.810 0.349 0.00 0.00 +0.134 A ATOM 8 N LIG 1 0.690 1.002 1.589 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 -0.197 1.015 2.587 0.00 0.00 +0.223 A ATOM 10 C LIG 1 -1.751 0.371 -1.163 0.00 0.00 +0.017 A ATOM 11 N LIG 1 -1.520 0.861 2.470 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 -3.128 0.194 -1.304 0.00 0.00 +0.046 A BRANCH 3 13 ATOM 13 O LIG 1 -5.300 0.100 -0.162 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.952 -0.169 -1.402 0.00 0.00 +0.232 C BRANCH 14 19 ATOM 15 C LIG 1 -10.616 0.049 1.492 0.00 0.00 +0.104 C ATOM 16 N LIG 1 -9.235 -0.365 1.268 0.00 0.00 -0.305 NA ATOM 17 C LIG 1 -8.356 0.769 0.954 0.00 0.00 +0.084 C ATOM 18 C LIG 1 -8.089 0.942 -0.542 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -7.465 -0.317 -1.175 0.00 0.00 +0.029 C ATOM 20 C LIG 1 -7.784 -1.575 -0.346 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -9.166 -1.462 0.294 0.00 0.00 +0.084 C ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 22 ATOM 22 C LIG 1 2.509 0.745 -0.750 0.00 0.00 +0.032 A ATOM 23 C LIG 1 3.223 0.051 0.232 0.00 0.00 +0.025 A ATOM 24 C LIG 1 4.618 -0.073 0.171 0.00 0.00 +0.025 A ATOM 25 C LIG 1 5.333 0.478 -0.890 0.00 0.00 +0.035 A ATOM 26 C LIG 1 4.625 1.136 -1.901 0.00 0.00 +0.025 A ATOM 27 C LIG 1 3.231 1.258 -1.835 0.00 0.00 +0.025 A BRANCH 25 28 ATOM 28 N LIG 1 6.733 0.388 -1.033 0.00 0.00 -0.269 N ATOM 29 H LIG 1 7.123 0.850 -1.839 0.00 0.00 +0.156 HD ATOM 30 C LIG 1 7.649 -0.078 -0.100 0.00 0.00 +0.308 C ATOM 31 N LIG 1 8.918 -0.125 -0.663 0.00 0.00 -0.269 N ATOM 32 H LIG 1 8.950 -0.085 -1.670 0.00 0.00 +0.156 HD ATOM 33 O LIG 1 7.381 -0.400 1.050 0.00 0.00 -0.252 OA BRANCH 31 34 ATOM 34 C LIG 1 10.133 -0.433 -0.017 0.00 0.00 +0.037 A ATOM 35 C LIG 1 11.265 -0.597 -0.824 0.00 0.00 +0.061 A ATOM 36 C LIG 1 12.496 -0.892 -0.246 0.00 0.00 +0.125 A ATOM 37 F LIG 1 13.569 -1.048 -1.033 0.00 0.00 -0.205 F ATOM 38 C LIG 1 12.633 -1.024 1.129 0.00 0.00 +0.038 A ATOM 39 C LIG 1 11.515 -0.855 1.941 0.00 0.00 +0.005 A ATOM 40 C LIG 1 10.271 -0.558 1.369 0.00 0.00 +0.023 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 1 22 TORSDOF 7