REMARK Name = BDB024325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.853 -1.543 -1.950 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.223 -2.623 -0.939 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.772 -3.833 -1.395 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.120 -4.842 -0.496 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.936 -4.652 0.872 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.413 -3.450 1.343 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.065 -2.439 0.445 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.590 -0.698 -1.597 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.488 -1.479 -1.207 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.343 -2.477 -1.138 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.590 0.524 -1.740 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.753 -1.004 -0.845 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.035 0.304 -0.879 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.284 0.695 -0.514 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.311 -0.151 -0.087 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.976 -1.508 -0.078 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.699 -1.941 -0.452 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.600 0.270 0.276 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.028 -0.201 1.621 0.00 0.00 +0.201 C ATOM 20 C LIG 1 7.413 0.294 2.090 0.00 0.00 +0.233 C ATOM 21 O LIG 1 7.975 -0.266 3.036 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 7.954 1.421 1.474 0.00 0.00 -0.302 N ATOM 23 C LIG 1 9.294 1.834 1.846 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.482 1.815 0.152 0.00 0.00 +0.126 C ATOM 25 C LIG 1 5.968 1.665 -0.001 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.993 -0.674 -2.347 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.581 0.074 -2.914 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.674 -0.033 -1.211 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -5.773 0.504 -2.579 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.664 1.063 -1.678 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.243 1.801 -0.477 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.134 1.179 0.412 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.642 1.873 1.514 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.263 3.198 1.745 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.372 3.825 0.871 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.865 3.130 -0.231 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.784 3.909 2.876 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.205 4.482 3.793 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9