REMARK Name = BDB011865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.693 0.372 -0.297 0.00 0.00 +0.180 C ATOM 2 C LIG 1 1.386 1.757 -0.831 0.00 0.00 +0.108 C ATOM 3 C LIG 1 2.586 2.616 -1.250 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.460 2.420 0.106 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.772 3.039 1.325 0.00 0.00 +0.217 C ATOM 6 O LIG 1 -0.088 3.436 2.118 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.215 3.229 1.702 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.916 2.206 -0.205 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -1.460 0.953 -0.586 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -2.812 0.991 -1.008 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -3.607 2.145 -0.981 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -3.068 3.341 -0.545 0.00 0.00 +0.054 A ATOM 13 N LIG 1 -0.787 -0.349 -0.551 0.00 0.00 -0.264 N ATOM 14 C LIG 1 -1.729 3.369 -0.176 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.583 -0.623 -0.667 0.00 0.00 +0.242 C ATOM 16 O LIG 1 0.952 -1.753 -1.041 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.125 -0.203 -0.116 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.945 -0.181 -0.824 0.00 0.00 -0.301 N ATOM 19 H LIG 1 2.893 -0.844 -1.598 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 4.269 0.388 0.949 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 5.218 -1.089 -0.768 0.00 0.00 +0.137 C ATOM 22 C LIG 1 6.599 -0.685 -0.257 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 5.787 -2.070 -2.931 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.100 -0.986 -2.243 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 5.493 -0.092 -2.542 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 12 26 ATOM 26 C LIG 1 -3.862 4.533 -0.517 0.00 0.00 +0.099 C ATOM 27 N LIG 1 -4.510 5.496 -0.518 0.00 0.00 -0.191 NA ENDBRANCH 12 26 BRANCH 13 28 ATOM 28 C LIG 1 -1.623 -1.582 -0.634 0.00 0.00 +0.150 C BRANCH 28 29 ATOM 29 C LIG 1 -2.734 -1.769 0.404 0.00 0.00 -0.016 A ATOM 30 C LIG 1 -4.052 -2.177 -0.019 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.043 -2.315 0.978 0.00 0.00 +0.071 A ATOM 32 C LIG 1 -6.338 -2.675 0.629 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.705 -2.929 -0.690 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.752 -2.828 -1.688 0.00 0.00 +0.001 A ATOM 35 N LIG 1 -4.798 -2.128 2.273 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 -3.534 -1.826 2.642 0.00 0.00 +0.115 A ATOM 37 C LIG 1 -4.445 -2.462 -1.358 0.00 0.00 +0.010 A ATOM 38 C LIG 1 -2.446 -1.638 1.790 0.00 0.00 -0.021 A BRANCH 38 39 ATOM 39 C LIG 1 -1.049 -1.384 2.338 0.00 0.00 +0.021 C ATOM 40 C LIG 1 -0.669 0.007 2.791 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.775 -1.092 3.799 0.00 0.00 +0.009 C ENDBRANCH 38 39 ENDBRANCH 28 29 ENDBRANCH 13 28 TORSDOF 7