REMARK Name = BDB054863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.122 3.076 -0.617 0.00 0.00 +0.121 A ATOM 2 N LIG 1 1.350 1.733 -0.741 0.00 0.00 -0.263 N ATOM 3 H LIG 1 2.233 1.240 -0.805 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.231 0.995 -0.800 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -0.774 1.883 -0.740 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.249 3.202 -0.633 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.179 1.459 -0.786 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.514 0.098 -0.751 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -3.850 -0.325 -0.791 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.882 0.608 -0.866 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -4.558 1.968 -0.904 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.222 2.390 -0.864 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 -6.244 0.269 -0.911 0.00 0.00 -0.251 N ATOM 14 H LIG 1 -6.920 1.017 -0.964 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.814 -0.972 -0.871 0.00 0.00 +0.405 C ATOM 16 O LIG 1 -6.255 -2.053 -0.785 0.00 0.00 -0.226 OA BRANCH 15 17 ATOM 17 O LIG 1 -8.161 -0.808 -0.945 0.00 0.00 -0.445 OA BRANCH 17 18 ATOM 18 C LIG 1 -8.942 -2.007 -0.876 0.00 0.00 +0.269 C BRANCH 18 19 ATOM 19 C LIG 1 -9.482 -2.169 0.521 0.00 0.00 -0.010 A ATOM 20 C LIG 1 -8.768 -2.909 1.474 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -9.255 -3.043 2.776 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -10.455 -2.434 3.138 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -11.166 -1.685 2.203 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -10.681 -1.549 0.901 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 25 C LIG 1 3.427 4.027 -0.490 0.00 0.00 +0.249 C ATOM 26 N LIG 1 2.053 4.093 -0.542 0.00 0.00 -0.267 N ATOM 27 H LIG 1 1.708 5.042 -0.639 0.00 0.00 +0.157 HD ATOM 28 O LIG 1 4.105 5.032 -0.696 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 5.446 0.375 0.460 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.683 1.037 -0.754 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.030 2.234 -1.060 0.00 0.00 +0.015 A ATOM 32 C LIG 1 4.120 2.774 -0.150 0.00 0.00 +0.037 A ATOM 33 C LIG 1 3.899 2.156 1.082 0.00 0.00 +0.015 A ATOM 34 C LIG 1 4.559 0.961 1.377 0.00 0.00 +0.024 A BRANCH 29 39 ATOM 35 C LIG 1 9.935 -1.736 -0.873 0.00 0.00 +0.105 C ATOM 36 N LIG 1 8.588 -1.263 -0.577 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 8.563 -0.391 0.619 0.00 0.00 +0.103 C ATOM 38 C LIG 1 7.343 -0.573 1.560 0.00 0.00 +0.120 C ATOM 39 N LIG 1 6.084 -0.820 0.827 0.00 0.00 -0.327 N ATOM 40 C LIG 1 6.184 -1.871 -0.215 0.00 0.00 +0.120 C ATOM 41 C LIG 1 7.632 -2.371 -0.443 0.00 0.00 +0.103 C ENDBRANCH 29 39 ENDBRANCH 25 32 ENDBRANCH 1 26 TORSDOF 8