REMARK Name = BDB042384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.566 0.998 -0.715 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -3.975 -0.273 -0.510 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.582 -0.389 -0.443 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -1.747 0.738 -0.533 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -2.351 1.993 -0.710 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.741 2.124 -0.801 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -9.633 2.867 -0.380 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -8.277 3.015 -0.901 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -7.991 1.968 -1.909 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -6.486 1.648 -2.043 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -5.981 1.071 -0.774 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -6.577 1.662 0.451 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -7.268 3.018 0.181 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 -0.283 0.606 -0.441 0.00 0.00 -0.018 A ATOM 15 C LIG 1 0.314 -0.110 0.612 0.00 0.00 +0.009 A ATOM 16 C LIG 1 1.704 -0.239 0.707 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.529 0.356 -0.253 0.00 0.00 +0.037 A ATOM 18 C LIG 1 1.951 1.055 -1.317 0.00 0.00 +0.013 A ATOM 19 C LIG 1 0.561 1.181 -1.406 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 4.014 0.247 -0.200 0.00 0.00 +0.244 C ATOM 21 N LIG 1 4.571 0.104 1.056 0.00 0.00 -0.311 N ATOM 22 H LIG 1 3.995 0.273 1.869 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 4.672 0.313 -1.232 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 6.011 0.085 1.246 0.00 0.00 +0.106 C BRANCH 24 25 ATOM 25 C LIG 1 6.619 -1.258 0.847 0.00 0.00 +0.034 C BRANCH 25 26 ATOM 26 C LIG 1 8.108 -1.369 1.200 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 N LIG 1 8.940 -0.273 0.691 0.00 0.00 -0.298 NA ATOM 28 C LIG 1 9.061 -0.250 -0.785 0.00 0.00 +0.112 C ATOM 29 C LIG 1 10.396 -0.809 -1.303 0.00 0.00 +0.175 C ATOM 30 O LIG 1 11.542 -0.112 -0.792 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 11.312 0.480 0.493 0.00 0.00 +0.175 C ATOM 32 C LIG 1 10.278 -0.295 1.322 0.00 0.00 +0.112 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 33 ATOM 33 N LIG 1 -4.839 -1.398 -0.469 0.00 0.00 -0.296 N ATOM 34 H LIG 1 -5.797 -1.035 -0.435 0.00 0.00 +0.154 HD BRANCH 33 35 ATOM 35 C LIG 1 -4.741 -2.544 0.364 0.00 0.00 +0.148 A ATOM 36 C LIG 1 -5.716 -3.533 0.194 0.00 0.00 +0.102 A ATOM 37 C LIG 1 -5.623 -4.572 1.111 0.00 0.00 +0.155 A ATOM 38 CL LIG 1 -6.785 -5.847 1.134 0.00 0.00 -0.060 Cl ATOM 39 N LIG 1 -4.649 -4.729 2.024 0.00 0.00 -0.222 NA ATOM 40 C LIG 1 -3.740 -3.754 2.035 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -3.734 -2.668 1.253 0.00 0.00 -0.219 NA BRANCH 36 42 ATOM 42 N LIG 1 -6.815 -3.348 -0.684 0.00 0.00 -0.353 N ATOM 43 H LIG 1 -6.535 -2.819 -1.510 0.00 0.00 +0.143 HD ATOM 44 H LIG 1 -7.267 -4.228 -0.926 0.00 0.00 +0.143 HD ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 33 TORSDOF 10