REMARK Name = BDB034250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.545 0.470 0.269 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.979 0.608 1.528 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.446 1.145 2.513 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.653 -0.018 1.467 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.428 -0.431 0.156 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.240 -1.058 -0.192 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.280 -1.262 0.806 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.533 -0.837 2.128 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.729 -0.203 2.473 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -3.597 -0.070 -0.696 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.809 3.940 -0.109 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.904 3.113 -0.044 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.602 3.469 -0.291 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.441 4.445 -0.496 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.510 2.641 -0.420 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.438 3.087 -0.825 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.764 1.147 -0.163 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.944 0.958 0.790 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.171 1.649 0.215 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.936 -1.866 0.646 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.386 -2.224 -0.671 0.00 0.00 +0.190 C ATOM 22 C LIG 1 2.946 -2.182 -0.726 0.00 0.00 +0.097 C ATOM 23 C LIG 1 3.422 -2.610 -2.139 0.00 0.00 +0.022 C ATOM 24 C LIG 1 2.555 -3.672 -2.813 0.00 0.00 +0.002 C ATOM 25 C LIG 1 1.798 -4.509 -1.801 0.00 0.00 +0.004 C ATOM 26 C LIG 1 0.859 -3.645 -0.966 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 3.499 -0.835 -0.450 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.980 -0.868 -0.311 0.00 0.00 +0.094 C ATOM 29 C LIG 1 4.852 0.076 0.910 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.406 -0.474 0.989 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 5.095 1.644 0.707 0.00 0.00 -0.042 A ATOM 32 C LIG 1 4.346 2.423 -0.198 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.570 3.793 -0.364 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.559 4.431 0.376 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.320 3.698 1.279 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.088 2.328 1.438 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5