REMARK Name = BDB017452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.725 0.185 -1.541 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.993 -0.057 -2.718 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.604 -0.213 -2.627 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.098 -0.122 -1.433 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.470 -0.330 -1.788 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.593 -0.566 -3.107 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.628 0.119 -0.252 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.340 -0.480 -3.577 0.00 0.00 -0.276 N ATOM 9 H LIG 1 0.191 -0.622 -4.569 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.021 0.274 -0.327 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.180 1.117 0.793 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.180 0.951 -0.177 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.322 -0.135 -0.089 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.169 -0.603 -0.929 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.222 0.392 -1.570 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.732 -1.890 -0.267 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.530 -2.058 0.853 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.446 -2.858 1.461 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.869 -2.651 -0.670 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.129 -0.469 -2.424 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.480 -1.042 0.967 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.451 -0.912 1.937 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.310 0.188 1.843 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -9.996 2.453 1.557 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -8.964 2.223 0.606 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.647 -0.320 -0.919 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.673 -1.254 -1.115 0.00 0.00 +0.013 A ATOM 28 C LIG 1 4.806 -1.264 -0.290 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.932 -0.333 0.738 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.917 0.609 0.927 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.785 0.621 0.106 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 5.970 -0.224 1.619 0.00 0.00 -0.491 OA BRANCH 32 33 ATOM 33 C LIG 1 7.092 -1.099 1.486 0.00 0.00 +0.244 C BRANCH 33 34 ATOM 34 C LIG 1 8.119 -0.594 0.450 0.00 0.00 +0.124 C BRANCH 34 35 ATOM 35 N LIG 1 8.715 0.728 0.736 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 9.536 0.721 1.945 0.00 0.00 +0.104 C ATOM 37 C LIG 1 9.509 1.180 -0.408 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7