REMARK Name = BDB006351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.582 2.377 1.413 0.00 0.00 +0.037 A ATOM 2 C LIG 1 3.774 1.295 2.277 0.00 0.00 +0.023 A ATOM 3 C LIG 1 3.127 0.077 1.990 0.00 0.00 +0.001 A ATOM 4 C LIG 1 3.130 -1.199 2.614 0.00 0.00 +0.027 A ATOM 5 C LIG 1 2.316 -2.027 1.878 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.797 -1.299 0.835 0.00 0.00 -0.342 N ATOM 7 C LIG 1 2.280 -0.003 0.877 0.00 0.00 +0.049 A ATOM 8 C LIG 1 2.039 1.103 0.044 0.00 0.00 +0.027 A ATOM 9 C LIG 1 2.701 2.299 0.334 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 5.479 3.913 1.060 0.00 0.00 -0.305 N ATOM 11 H LIG 1 5.835 4.813 1.356 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 4.276 3.647 1.665 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.746 4.487 2.386 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 7.210 2.206 1.494 0.00 0.00 +0.033 C ATOM 15 C LIG 1 6.457 3.017 0.437 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 5.900 2.243 -0.747 0.00 0.00 -0.027 A ATOM 17 C LIG 1 5.805 0.840 -0.763 0.00 0.00 +0.007 A ATOM 18 C LIG 1 5.237 0.169 -1.850 0.00 0.00 +0.033 A ATOM 19 C LIG 1 4.765 0.903 -2.943 0.00 0.00 +0.126 A ATOM 20 C LIG 1 4.873 2.297 -2.964 0.00 0.00 +0.033 A ATOM 21 C LIG 1 5.439 2.957 -1.871 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 4.131 0.204 -4.065 0.00 0.00 +0.056 N ATOM 23 O LIG 1 3.917 0.851 -5.100 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 3.838 -0.990 -3.909 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 0.913 -1.854 -0.186 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -0.493 -2.058 0.321 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -1.250 -0.988 0.816 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.563 -1.186 1.253 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.155 -2.455 1.197 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -2.398 -3.524 0.700 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -1.084 -3.329 0.265 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -4.539 -2.657 1.642 0.00 0.00 -0.004 A ATOM 33 C LIG 1 -5.649 -2.260 0.874 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -6.960 -2.438 1.339 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -7.178 -3.022 2.585 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.093 -3.428 3.361 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.787 -3.247 2.894 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -5.463 -1.670 -0.464 0.00 0.00 +0.340 C ATOM 39 O LIG 1 -5.057 -2.286 -1.432 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -5.817 -0.367 -0.383 0.00 0.00 -0.455 OA BRANCH 40 41 ATOM 41 C LIG 1 -5.689 0.496 -1.541 0.00 0.00 +0.106 C ATOM 42 C LIG 1 -4.226 0.620 -1.980 0.00 0.00 +0.055 C ATOM 43 C LIG 1 -6.176 1.871 -1.060 0.00 0.00 +0.055 C ATOM 44 C LIG 1 -6.593 0.029 -2.687 0.00 0.00 +0.055 C ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 10