REMARK Name = BDB024273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.487 -1.517 -0.203 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.955 -0.802 -1.460 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.196 0.582 -1.467 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.626 1.224 -2.630 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.827 0.491 -3.797 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.600 -0.883 -3.805 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.167 -1.528 -2.644 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.252 -0.778 0.413 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.937 -1.144 -0.204 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.882 -1.782 -0.983 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.385 0.050 1.313 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.207 -0.652 0.119 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.377 0.214 1.128 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -3.632 0.653 1.391 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.768 0.263 0.689 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.568 -0.641 -0.354 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.280 -1.103 -0.643 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -6.082 0.773 1.040 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -7.195 0.759 0.222 0.00 0.00 +0.117 A ATOM 20 N LIG 1 -8.202 1.360 0.925 0.00 0.00 -0.262 N ATOM 21 N LIG 1 -7.838 1.725 2.165 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -6.547 1.388 2.228 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 -9.573 1.536 0.504 0.00 0.00 +0.256 C BRANCH 23 24 ATOM 24 C LIG 1 -9.713 2.656 -0.489 0.00 0.00 +0.409 C ATOM 25 F LIG 1 -11.015 2.797 -0.843 0.00 0.00 -0.169 F ATOM 26 F LIG 1 -9.028 2.402 -1.628 0.00 0.00 -0.169 F ATOM 27 F LIG 1 -9.301 3.846 -0.008 0.00 0.00 -0.169 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 2.521 -1.657 0.837 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 2.750 -0.733 1.211 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 3.711 -2.421 0.473 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 6.110 -2.523 -0.310 0.00 0.00 +0.014 C ATOM 32 C LIG 1 4.925 -1.593 -0.023 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 5.355 -0.482 0.926 0.00 0.00 -0.043 A ATOM 34 C LIG 1 5.625 -0.729 2.281 0.00 0.00 +0.005 A ATOM 35 C LIG 1 6.017 0.310 3.130 0.00 0.00 +0.019 A ATOM 36 C LIG 1 6.148 1.610 2.636 0.00 0.00 +0.052 A ATOM 37 C LIG 1 5.887 1.866 1.288 0.00 0.00 +0.019 A ATOM 38 C LIG 1 5.495 0.827 0.440 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 6.555 2.674 3.506 0.00 0.00 +0.099 C ATOM 40 N LIG 1 6.893 3.535 4.207 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11