REMARK Name = BDB013551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.989 1.019 -1.205 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.870 0.161 -2.315 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.066 -0.347 -3.072 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.409 -0.242 -2.726 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.556 0.195 -2.060 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.460 1.052 -0.960 0.00 0.00 -0.043 A ATOM 7 C LIG 1 0.181 1.463 -0.554 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.326 1.507 -0.677 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.832 -0.904 0.801 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.923 -0.450 1.622 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.626 0.553 1.019 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -5.153 1.859 0.914 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.932 2.843 0.292 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -7.192 2.515 -0.209 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.677 1.214 -0.080 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.577 2.294 1.584 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.577 1.965 2.992 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.271 3.641 1.143 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.503 1.257 0.774 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.899 0.236 0.541 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.533 -0.176 1.189 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.896 -3.211 0.631 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.668 -2.413 1.053 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.678 1.584 -0.218 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 3.120 2.937 -0.801 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 C LIG 1 3.764 2.847 -2.162 0.00 0.00 +0.305 C ATOM 27 O LIG 1 4.971 2.762 -2.334 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 2.886 2.872 -3.187 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 1.950 2.869 -2.905 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 3.857 0.595 -0.081 0.00 0.00 +0.015 C BRANCH 30 31 ATOM 31 C LIG 1 3.502 -0.629 0.773 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 4.627 -1.594 0.855 0.00 0.00 +0.083 A ATOM 33 N LIG 1 4.670 -2.698 0.043 0.00 0.00 -0.135 NA ATOM 34 N LIG 1 5.775 -3.374 0.323 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 6.424 -2.703 1.288 0.00 0.00 -0.252 N ATOM 36 C LIG 1 5.741 -1.587 1.666 0.00 0.00 +0.133 A BRANCH 35 37 ATOM 37 C LIG 1 7.681 -3.195 1.805 0.00 0.00 +0.142 C ATOM 38 C LIG 1 8.859 -2.775 0.945 0.00 0.00 +0.029 C ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 6 24 TORSDOF 11