REMARK Name = BDB015010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.518 -0.184 1.750 0.00 0.00 +0.002 A ATOM 2 C LIG 1 1.234 1.164 1.483 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.086 1.619 1.358 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.147 0.729 1.500 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.876 -0.613 1.768 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.442 -1.069 1.892 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 5.040 -0.548 1.946 0.00 0.00 -0.267 N ATOM 8 N LIG 1 3.941 0.218 1.813 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 2.908 -0.642 1.876 0.00 0.00 +0.093 A ATOM 10 C LIG 1 3.389 -1.968 2.075 0.00 0.00 +0.049 A ATOM 11 C LIG 1 4.758 -1.869 2.126 0.00 0.00 +0.109 A BRANCH 7 12 ATOM 12 C LIG 1 6.361 0.068 1.943 0.00 0.00 +0.178 C BRANCH 12 16 ATOM 13 C LIG 1 8.546 -0.781 -1.695 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.382 -0.011 -1.730 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.674 0.264 -0.558 0.00 0.00 +0.009 A ATOM 16 C LIG 1 7.120 -0.232 0.674 0.00 0.00 -0.026 A ATOM 17 C LIG 1 8.291 -1.002 0.705 0.00 0.00 +0.009 A ATOM 18 C LIG 1 8.999 -1.276 -0.472 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 10.324 -1.762 -2.932 0.00 0.00 +0.277 C ATOM 20 O LIG 1 9.141 -0.974 -2.912 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 O LIG 1 -2.476 1.037 1.410 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.812 2.374 1.038 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 -4.338 2.506 0.912 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 -4.714 3.880 1.110 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 -4.551 4.087 2.047 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.871 2.074 -0.478 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -4.514 0.719 -0.926 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.136 -0.349 -0.124 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.599 -0.602 -0.423 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.159 -0.234 -1.660 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.506 -0.514 -1.926 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.288 -1.176 -0.980 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.732 -1.559 0.238 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.332 0.519 -2.673 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.394 -1.277 0.515 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.830 0.501 -2.348 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10