REMARK Name = BDB019851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.381 -1.746 0.257 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.509 -2.811 0.510 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.657 -2.613 1.262 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.913 -1.328 1.771 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -0.039 -0.253 1.536 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.122 -0.480 0.787 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.589 -3.725 1.514 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -2.904 -3.745 1.010 0.00 0.00 -0.025 A ATOM 9 C LIG 1 -3.478 -2.638 0.173 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -3.706 -4.838 1.337 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -3.304 -5.890 2.083 0.00 0.00 -0.263 NA ATOM 12 C LIG 1 -2.038 -5.855 2.537 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -1.159 -4.814 2.285 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.937 -1.196 -1.585 0.00 0.00 -0.306 N ATOM 15 H LIG 1 3.798 -1.480 -2.033 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 2.602 -2.007 -0.533 0.00 0.00 +0.244 C ATOM 17 O LIG 1 3.313 -2.966 -0.245 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.102 -0.237 -2.293 0.00 0.00 +0.160 C BRANCH 18 21 ATOM 19 C LIG 1 4.298 2.820 -2.768 0.00 0.00 +0.123 A ATOM 20 C LIG 1 3.807 1.521 -2.878 0.00 0.00 +0.070 A ATOM 21 C LIG 1 2.643 1.171 -2.198 0.00 0.00 +0.062 A ATOM 22 N LIG 1 1.968 2.056 -1.421 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 2.468 3.308 -1.331 0.00 0.00 +0.114 A ATOM 24 C LIG 1 3.615 3.735 -1.978 0.00 0.00 +0.065 A BRANCH 19 26 ATOM 25 C LIG 1 5.998 4.367 -3.379 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.442 3.061 -3.476 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -0.358 1.130 2.058 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 N LIG 1 -1.517 1.684 1.388 0.00 0.00 -0.313 N ATOM 29 C LIG 1 -2.826 1.696 1.885 0.00 0.00 +0.204 A ATOM 30 N LIG 1 -3.281 1.324 3.027 0.00 0.00 -0.268 NA ATOM 31 H LIG 1 -2.519 0.987 3.613 0.00 0.00 +0.190 HD ATOM 32 N LIG 1 -3.584 2.221 0.836 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -4.999 2.474 0.936 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -2.767 2.521 -0.241 0.00 0.00 +0.106 A ATOM 35 C LIG 1 -1.512 2.185 0.088 0.00 0.00 +0.107 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7