REMARK Name = BDB024208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.750 -1.488 0.059 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.955 -2.902 0.582 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.260 -3.942 -0.312 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.458 -5.243 0.152 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.358 -5.522 1.514 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.061 -4.501 2.413 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.863 -3.198 1.952 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.361 -0.937 0.511 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.353 -1.229 -0.383 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.560 -1.780 -1.204 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.220 -0.327 1.573 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.997 -0.895 -0.308 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.717 -1.367 -1.347 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.046 -1.090 -1.365 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.714 -0.356 -0.391 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.940 0.117 0.669 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.569 -0.152 0.713 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.141 -0.109 -0.481 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.809 0.942 0.113 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.134 0.818 -0.229 0.00 0.00 -0.266 N ATOM 21 N LIG 1 7.362 -0.253 -1.017 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.159 -0.809 -1.165 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.235 1.715 0.170 0.00 0.00 +0.055 C ATOM 24 C LIG 1 8.339 1.754 1.706 0.00 0.00 +0.036 C ATOM 25 C LIG 1 7.964 3.133 -0.368 0.00 0.00 +0.036 C ATOM 26 C LIG 1 9.598 1.246 -0.388 0.00 0.00 +0.036 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.792 -0.535 0.494 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.736 -0.442 1.508 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.145 -0.903 0.071 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -6.253 0.651 1.796 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -6.212 0.193 0.334 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -6.108 1.368 -0.630 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.106 1.567 -1.597 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.031 2.637 -2.493 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.954 3.525 -2.437 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.953 3.337 -1.481 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.031 2.267 -0.586 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.875 4.621 -3.357 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.815 5.507 -4.104 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10