REMARK Name = BDB060544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.479 -1.981 -4.147 0.00 0.00 +0.161 A ATOM 2 N LIG 1 0.449 -2.428 -4.924 0.00 0.00 -0.342 N ATOM 3 H LIG 1 0.548 -2.749 -5.877 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.704 -2.322 -4.184 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.302 -1.829 -2.960 0.00 0.00 +0.089 A ATOM 6 N LIG 1 1.056 -1.629 -2.948 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.975 -1.337 -3.734 0.00 0.00 +0.082 A ATOM 8 C LIG 1 2.970 -1.864 -4.586 0.00 0.00 +0.149 A ATOM 9 N LIG 1 3.443 -2.213 -5.787 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 4.758 -1.910 -5.689 0.00 0.00 -0.282 N ATOM 11 H LIG 1 5.355 -2.088 -6.490 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 5.120 -1.377 -4.483 0.00 0.00 +0.129 A BRANCH 7 14 ATOM 13 C LIG 1 4.662 -0.327 -1.586 0.00 0.00 +0.248 C ATOM 14 N LIG 1 3.750 -0.885 -2.448 0.00 0.00 -0.278 N ATOM 15 H LIG 1 2.785 -1.017 -2.144 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 5.865 -0.199 -1.784 0.00 0.00 -0.270 OA BRANCH 13 20 ATOM 17 C LIG 1 2.975 0.832 2.206 0.00 0.00 +0.120 A ATOM 18 C LIG 1 2.198 0.913 1.051 0.00 0.00 +0.046 A ATOM 19 C LIG 1 2.744 0.566 -0.189 0.00 0.00 +0.016 A ATOM 20 C LIG 1 4.070 0.117 -0.284 0.00 0.00 +0.037 A ATOM 21 C LIG 1 4.859 0.072 0.868 0.00 0.00 +0.016 A ATOM 22 C LIG 1 4.310 0.427 2.105 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 1.159 1.364 3.643 0.00 0.00 +0.277 C ATOM 24 O LIG 1 2.553 1.126 3.474 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 13 20 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 5 25 ATOM 25 C LIG 1 -1.126 -1.526 -1.804 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -2.462 -1.130 -1.922 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.195 -0.765 -0.785 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.604 -0.793 0.487 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -1.276 -1.221 0.605 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -0.545 -1.577 -0.529 0.00 0.00 +0.010 A BRANCH 28 31 ATOM 31 C LIG 1 -3.383 -0.378 1.719 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -2.716 0.686 2.492 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -3.313 0.842 3.827 0.00 0.00 +0.085 C ATOM 34 C LIG 1 -4.691 1.508 3.821 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -4.656 2.845 3.089 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -4.026 2.694 1.708 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -2.675 1.979 1.789 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 7