REMARK Name = BDB027128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.070 -0.536 1.395 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.122 0.487 2.087 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.666 1.200 -0.485 0.00 0.00 +0.039 A ATOM 4 C LIG 1 3.328 -0.079 -0.955 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.110 -0.628 -0.528 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.234 0.039 0.331 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.101 -0.818 0.552 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.331 -1.965 -0.188 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.592 1.330 0.776 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.536 -1.840 -0.828 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.950 -2.538 -1.431 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.800 1.901 0.357 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 6.025 1.034 -1.064 0.00 0.00 -0.309 N ATOM 14 H LIG 1 5.937 0.046 -0.875 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 4.935 1.863 -0.893 0.00 0.00 +0.244 C ATOM 16 O LIG 1 4.976 3.079 -1.035 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 8.437 0.629 -1.040 0.00 0.00 +0.027 C ATOM 18 C LIG 1 7.312 1.543 -1.516 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.329 1.673 -3.037 0.00 0.00 +0.027 C ENDBRANCH 13 18 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.256 -1.542 1.398 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -1.958 -2.763 2.260 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.315 -4.042 1.802 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.054 -5.175 2.575 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.445 -5.044 3.820 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.105 -3.781 4.299 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.365 -2.646 3.528 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.496 -0.894 1.895 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.221 -0.209 2.606 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.296 -0.244 0.855 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -3.706 1.052 0.280 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -4.653 1.708 -0.698 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -4.589 1.403 -2.064 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.476 1.998 -2.965 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.441 2.901 -2.507 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.513 3.206 -1.145 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.625 2.611 -0.245 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -7.352 3.509 -3.431 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.091 3.999 -4.181 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 10