REMARK Name = BDB010037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.349 -1.521 0.538 0.00 0.00 -0.315 N ATOM 2 C LIG 1 0.683 -1.076 1.338 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.700 -1.969 2.394 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.587 -1.934 3.398 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 2.477 -0.941 3.260 0.00 0.00 +0.242 A ATOM 6 N LIG 1 2.535 -0.023 2.267 0.00 0.00 -0.205 NA ATOM 7 N LIG 1 -0.288 -2.900 2.277 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.624 -0.053 1.276 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -0.928 -2.620 1.156 0.00 0.00 +0.144 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -2.035 -3.423 0.629 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -3.260 -2.851 0.258 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.304 -3.643 -0.244 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -5.596 -3.011 -0.672 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -4.108 -5.022 -0.384 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -2.903 -5.605 0.006 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -1.876 -4.810 0.517 0.00 0.00 +0.011 A ENDBRANCH 9 10 BRANCH 5 17 ATOM 17 C LIG 1 3.538 -0.808 4.322 0.00 0.00 +0.375 C ATOM 18 O LIG 1 4.418 0.036 4.373 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 3.454 -1.749 5.291 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 4.193 -1.537 5.896 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 8 21 ATOM 21 N LIG 1 1.641 0.894 0.254 0.00 0.00 -0.324 N ATOM 22 H LIG 1 0.698 1.238 0.092 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.621 1.987 0.357 0.00 0.00 +0.072 C ATOM 24 C LIG 1 2.073 3.182 -0.432 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 3.990 1.522 -0.159 0.00 0.00 +0.009 C ATOM 26 C LIG 1 5.141 2.543 -0.395 0.00 0.00 +0.005 C ATOM 27 C LIG 1 5.629 1.614 -1.527 0.00 0.00 +0.001 C ATOM 28 C LIG 1 4.173 1.115 -1.650 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 1 29 ATOM 29 C LIG 1 -0.646 -1.042 -0.807 0.00 0.00 +0.159 C BRANCH 29 33 ATOM 30 C LIG 1 -2.728 2.756 -1.095 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -2.773 2.033 0.097 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -2.116 0.805 0.218 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -1.389 0.277 -0.857 0.00 0.00 -0.027 A ATOM 34 C LIG 1 -1.362 1.006 -2.058 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -2.021 2.235 -2.175 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 -3.392 4.718 -2.263 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -3.410 3.940 -1.073 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 9