REMARK Name = BDB053879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.683 -1.163 -0.924 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.402 0.005 -1.233 0.00 0.00 +0.224 C ATOM 3 O LIG 1 -1.227 0.590 -2.304 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.342 0.563 -0.151 0.00 0.00 +0.125 C ATOM 5 C LIG 1 -3.543 1.392 -0.700 0.00 0.00 +0.108 C ATOM 6 C LIG 1 -4.719 1.352 0.322 0.00 0.00 -0.012 A ATOM 7 C LIG 1 -5.864 0.559 0.080 0.00 0.00 -0.039 A ATOM 8 C LIG 1 -6.909 0.505 1.017 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -6.827 1.215 2.211 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -5.710 1.999 2.468 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.027 -0.178 -1.222 0.00 0.00 +0.063 C ATOM 12 C LIG 1 -4.682 -0.397 -1.878 0.00 0.00 +0.165 C ATOM 13 C LIG 1 -4.673 2.069 1.533 0.00 0.00 +0.007 A ATOM 14 O LIG 1 -4.006 0.850 -1.965 0.00 0.00 -0.368 OA ATOM 15 C LIG 1 -3.151 2.858 -1.029 0.00 0.00 +0.056 C ATOM 16 C LIG 1 -1.714 3.222 -0.672 0.00 0.00 +0.084 C ATOM 17 N LIG 1 -1.324 2.781 0.656 0.00 0.00 -0.315 NA ATOM 18 H LIG 1 -1.802 3.322 1.374 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -1.492 1.343 0.873 0.00 0.00 +0.096 C ENDBRANCH 2 4 BRANCH 1 20 ATOM 20 C LIG 1 -0.815 -1.901 0.313 0.00 0.00 +0.077 C ATOM 21 C LIG 1 -0.717 -3.407 0.373 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -2.034 -2.741 0.604 0.00 0.00 +0.024 C ENDBRANCH 1 20 BRANCH 1 23 ATOM 23 C LIG 1 0.452 -1.506 -1.789 0.00 0.00 +0.143 C BRANCH 23 28 ATOM 24 C LIG 1 3.320 0.556 -0.333 0.00 0.00 -0.044 A ATOM 25 C LIG 1 4.191 -0.460 0.078 0.00 0.00 +0.049 A ATOM 26 C LIG 1 3.877 -1.807 -0.123 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.670 -2.144 -0.738 0.00 0.00 +0.050 A ATOM 28 C LIG 1 1.777 -1.142 -1.154 0.00 0.00 -0.026 A ATOM 29 C LIG 1 2.114 0.205 -0.950 0.00 0.00 +0.009 A BRANCH 24 30 ATOM 30 C LIG 1 3.652 2.005 -0.077 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 3.262 2.431 1.342 0.00 0.00 +0.033 C BRANCH 31 32 ATOM 32 C LIG 1 3.532 3.917 1.589 0.00 0.00 +0.160 C BRANCH 32 34 ATOM 33 C LIG 1 1.734 4.872 0.352 0.00 0.00 +0.193 C ATOM 34 O LIG 1 2.336 4.692 1.625 0.00 0.00 -0.383 OA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 BRANCH 26 35 ATOM 35 O LIG 1 4.820 -2.684 0.337 0.00 0.00 -0.490 OA BRANCH 35 36 ATOM 36 C LIG 1 4.592 -4.076 0.105 0.00 0.00 +0.257 C BRANCH 36 37 ATOM 37 C LIG 1 5.761 -4.875 0.691 0.00 0.00 +0.200 C BRANCH 37 38 ATOM 38 O LIG 1 7.006 -4.629 0.031 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 7.120 -5.270 -1.232 0.00 0.00 +0.194 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 26 35 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 12