REMARK Name = BDB052876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.765 -0.557 0.815 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.606 -0.486 0.682 0.00 0.00 -0.306 N ATOM 3 H LIG 1 -1.076 -1.358 0.897 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.547 0.190 0.239 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 0.943 -1.768 3.002 0.00 0.00 +0.136 A ATOM 6 C LIG 1 1.261 -1.690 1.632 0.00 0.00 +0.120 A ATOM 7 C LIG 1 2.047 -2.686 1.026 0.00 0.00 +0.136 A ATOM 8 C LIG 1 2.422 -3.808 1.774 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.094 -3.900 3.127 0.00 0.00 +0.007 A ATOM 10 C LIG 1 1.362 -2.882 3.741 0.00 0.00 +0.046 A BRANCH 5 12 ATOM 11 C LIG 1 0.416 -0.481 4.925 0.00 0.00 +0.277 C ATOM 12 O LIG 1 0.192 -0.757 3.546 0.00 0.00 -0.494 OA ENDBRANCH 5 12 BRANCH 7 13 ATOM 13 O LIG 1 2.327 -2.604 -0.317 0.00 0.00 -0.491 OA BRANCH 13 14 ATOM 14 C LIG 1 3.712 -2.777 -0.658 0.00 0.00 +0.229 C BRANCH 14 15 ATOM 15 C LIG 1 4.431 -1.433 -0.772 0.00 0.00 +0.046 C BRANCH 15 16 ATOM 16 C LIG 1 3.979 -0.638 -1.999 0.00 0.00 +0.040 C BRANCH 16 17 ATOM 17 C LIG 1 4.720 0.666 -2.123 0.00 0.00 -0.029 A ATOM 18 C LIG 1 5.849 0.784 -2.928 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.570 1.919 -3.067 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 6.142 2.992 -2.370 0.00 0.00 +0.111 A ATOM 21 C LIG 1 5.033 2.981 -1.538 0.00 0.00 +0.020 A ATOM 22 C LIG 1 4.316 1.797 -1.410 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 6 BRANCH 2 23 ATOM 23 C LIG 1 -1.315 0.331 -0.310 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 -1.121 -0.197 -1.767 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 O LIG 1 0.250 -0.166 -2.196 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 0.805 0.044 -1.413 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -1.674 -1.626 -2.011 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -1.145 -2.545 -1.041 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -0.482 -3.103 -1.510 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -3.204 -1.754 -1.932 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 -4.020 -0.846 -2.869 0.00 0.00 -0.015 C ATOM 32 C LIG 1 -5.512 -1.157 -2.721 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -3.606 -0.990 -4.333 0.00 0.00 +0.007 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -1.008 1.846 -0.213 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -1.670 2.608 0.959 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -1.376 2.023 2.343 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.885 2.929 3.470 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -3.126 3.741 3.092 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -3.969 3.037 2.037 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -3.189 2.792 0.742 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 2 23 TORSDOF 16