REMARK Name = BDB002409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.642 -0.043 1.675 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.601 0.543 2.384 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.169 0.226 2.304 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.453 0.941 3.511 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.710 1.102 4.478 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.888 1.355 3.554 0.00 0.00 +0.109 C ATOM 7 O LIG 1 3.815 0.183 1.980 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.520 0.712 1.016 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.805 0.245 0.857 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -2.213 -0.391 1.527 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 0.035 1.428 0.186 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.557 0.498 -0.362 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -2.095 -0.377 -1.526 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -2.248 0.098 -2.840 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.829 -0.666 -3.931 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.257 -1.919 -3.727 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -1.109 -2.412 -2.433 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -1.528 -1.650 -1.340 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -4.045 0.406 -0.052 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -4.752 -0.807 -0.093 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -6.108 -0.855 0.238 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.775 0.304 0.627 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.087 1.513 0.687 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.732 1.564 0.355 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.281 -0.905 0.434 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 N LIG 1 2.192 0.007 -0.711 0.00 0.00 -0.302 N ATOM 27 H LIG 1 1.386 0.635 -0.692 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 3.268 0.467 -1.438 0.00 0.00 +0.230 C ATOM 29 O LIG 1 4.403 0.002 -1.373 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 2.917 1.626 -2.401 0.00 0.00 +0.135 C ATOM 31 C LIG 1 2.829 2.941 -1.639 0.00 0.00 +0.033 C BRANCH 30 32 ATOM 32 N LIG 1 3.950 1.730 -3.454 0.00 0.00 -0.320 NA ATOM 33 H LIG 1 4.027 0.812 -3.897 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 4.850 1.829 -2.974 0.00 0.00 +0.119 HD ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 36 ATOM 35 C LIG 1 3.098 -3.063 1.483 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.205 -2.134 0.265 0.00 0.00 +0.012 C ATOM 37 C LIG 1 2.849 -2.937 -0.993 0.00 0.00 +0.009 C ENDBRANCH 25 36 ENDBRANCH 1 25 TORSDOF 9