REMARK Name = BDB056696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.837 1.294 0.515 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.360 0.096 0.053 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.678 -0.104 -0.391 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.878 -1.421 -0.785 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.039 -1.922 -1.252 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.058 -1.034 -1.322 0.00 0.00 +0.115 A ATOM 7 C LIG 1 4.963 0.315 -0.959 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.630 -2.252 -0.581 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.192 -2.934 -1.878 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.851 -3.286 0.527 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.732 0.784 -0.476 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.617 -1.164 -0.141 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.490 2.338 0.611 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.642 1.285 0.948 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -3.582 3.840 -1.577 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.464 3.567 -0.565 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.027 3.388 0.779 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.707 4.112 1.003 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.591 2.054 1.020 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.961 0.904 0.180 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.549 1.155 -0.222 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.534 2.400 -1.038 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.175 -0.478 0.847 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -4.570 -0.923 0.801 0.00 0.00 -0.296 N ATOM 25 C LIG 1 -5.369 -0.830 1.935 0.00 0.00 +0.241 C ATOM 26 O LIG 1 -4.994 -0.278 2.969 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 -6.800 -1.390 1.804 0.00 0.00 +0.256 C ATOM 28 O LIG 1 -7.104 -2.231 0.699 0.00 0.00 -0.366 OA ATOM 29 C LIG 1 -6.532 -1.709 -0.503 0.00 0.00 +0.133 C ATOM 30 C LIG 1 -6.970 -2.596 -1.659 0.00 0.00 +0.039 C ATOM 31 C LIG 1 -5.008 -1.706 -0.353 0.00 0.00 +0.139 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 6.156 1.228 -1.061 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 C LIG 1 7.143 1.060 0.072 0.00 0.00 -0.043 A ATOM 34 C LIG 1 8.341 0.354 -0.123 0.00 0.00 +0.007 A ATOM 35 C LIG 1 9.243 0.191 0.929 0.00 0.00 +0.038 A ATOM 36 C LIG 1 8.948 0.729 2.176 0.00 0.00 +0.123 A ATOM 37 F LIG 1 9.816 0.572 3.184 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.767 1.428 2.392 0.00 0.00 +0.038 A ATOM 39 C LIG 1 6.863 1.593 1.341 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6