REMARK Name = BDB058132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.648 1.061 -0.100 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.101 0.286 0.926 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.286 0.094 1.002 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.154 0.675 0.071 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.587 1.463 -0.944 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.205 1.660 -1.029 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -2.934 0.304 0.280 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -2.521 -0.600 0.469 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.114 1.294 -0.225 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.530 2.303 -0.782 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -6.731 -0.959 -2.632 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.309 0.036 -1.528 0.00 0.00 +0.043 C ATOM 13 N LIG 1 -7.059 -0.090 -0.257 0.00 0.00 -0.180 NA ATOM 14 C LIG 1 -6.512 -0.967 0.792 0.00 0.00 +0.043 C ATOM 15 C LIG 1 -7.405 -0.841 2.051 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -6.477 -2.460 0.406 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -5.087 -0.479 1.183 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -4.384 0.356 0.101 0.00 0.00 +0.077 C ATOM 19 C LIG 1 -4.785 -0.109 -1.297 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -6.609 1.459 -2.051 0.00 0.00 +0.030 C BRANCH 13 21 ATOM 21 O LIG 1 -8.431 -0.455 -0.549 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -8.909 0.351 -0.275 0.00 0.00 +0.237 HD ENDBRANCH 13 21 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 3.543 0.513 0.092 0.00 0.00 -0.284 N ATOM 24 H LIG 1 4.070 1.018 -0.606 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 4.423 -0.208 0.890 0.00 0.00 +0.221 A ATOM 26 N LIG 1 5.724 -0.054 0.583 0.00 0.00 -0.197 NA ATOM 27 C LIG 1 6.668 -0.723 1.283 0.00 0.00 +0.159 A ATOM 28 C LIG 1 6.283 -1.558 2.316 0.00 0.00 +0.184 A ATOM 29 C LIG 1 4.940 -1.663 2.587 0.00 0.00 +0.150 A ATOM 30 N LIG 1 4.001 -1.001 1.884 0.00 0.00 -0.220 NA BRANCH 28 31 ATOM 31 N LIG 1 7.221 -2.330 3.088 0.00 0.00 +0.061 N ATOM 32 O LIG 1 8.251 -2.721 2.518 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 6.925 -2.580 4.264 0.00 0.00 -0.126 OA ENDBRANCH 28 31 BRANCH 27 34 ATOM 34 N LIG 1 8.034 -0.507 0.985 0.00 0.00 -0.297 N ATOM 35 H LIG 1 8.566 -1.377 1.040 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 8.637 0.434 0.125 0.00 0.00 +0.033 A ATOM 37 C LIG 1 8.058 1.671 -0.186 0.00 0.00 +0.025 A ATOM 38 C LIG 1 8.715 2.590 -1.012 0.00 0.00 +0.022 A ATOM 39 C LIG 1 9.972 2.287 -1.524 0.00 0.00 +0.041 A ATOM 40 CL LIG 1 10.780 3.416 -2.539 0.00 0.00 -0.084 Cl ATOM 41 C LIG 1 10.581 1.077 -1.208 0.00 0.00 +0.022 A ATOM 42 C LIG 1 9.920 0.163 -0.381 0.00 0.00 +0.025 A ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 8