REMARK Name = BDB009093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.937 0.530 1.119 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.145 1.081 0.101 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.948 1.913 0.398 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.219 2.218 1.736 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.436 1.674 2.753 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.634 0.831 2.446 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 2.888 -1.040 2.764 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.895 -0.970 1.543 0.00 0.00 +0.249 C ATOM 9 N LIG 1 2.008 -0.296 0.725 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.135 -0.419 -0.273 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 3.924 -1.739 0.798 0.00 0.00 +0.045 A ATOM 12 C LIG 1 4.841 -1.119 -0.091 0.00 0.00 -0.006 A ATOM 13 C LIG 1 5.729 -1.957 -0.810 0.00 0.00 -0.017 A ATOM 14 C LIG 1 6.644 -1.394 -1.715 0.00 0.00 +0.008 A ATOM 15 C LIG 1 6.706 -0.014 -1.909 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.861 0.823 -1.193 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.699 -3.348 -0.609 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.812 -3.929 0.297 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.943 0.280 -0.292 0.00 0.00 +0.009 A ATOM 20 C LIG 1 3.925 -3.126 1.003 0.00 0.00 +0.014 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 21 ATOM 21 C LIG 1 -1.782 2.502 -0.717 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -3.287 2.356 -0.506 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.928 1.009 -0.634 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -3.121 -0.203 -1.008 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -3.983 -1.397 -1.431 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.163 -1.582 -0.486 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.044 -0.331 -0.457 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -5.252 0.947 -0.404 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.009 2.179 -0.072 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -7.220 2.161 0.127 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -5.277 3.333 -0.009 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -5.775 4.187 0.219 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -3.938 3.443 -0.213 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4