REMARK Name = BDB028350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.183 4.328 1.030 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.155 3.873 0.120 0.00 0.00 -0.266 N ATOM 3 C LIG 1 0.440 2.693 0.164 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.424 2.756 -0.924 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.148 3.998 -1.534 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.809 4.676 -0.903 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.410 1.754 -1.285 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -1.048 0.404 -1.413 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.013 -0.561 -1.730 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.329 -0.169 -1.957 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -4.330 -1.187 -2.313 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -3.873 -2.480 -2.394 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -4.550 -3.196 -2.638 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -2.602 -2.900 -2.145 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -5.498 -0.886 -2.525 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -3.696 1.177 -1.855 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -1.707 -2.010 -1.824 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.738 2.135 -1.516 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -0.279 -2.472 -1.515 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -0.184 -3.937 -1.524 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -0.471 -4.255 -2.454 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -0.929 -4.300 -0.923 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 0.582 1.675 1.213 0.00 0.00 +0.023 A ATOM 24 C LIG 1 1.665 0.776 1.255 0.00 0.00 +0.103 A ATOM 25 C LIG 1 1.702 -0.203 2.259 0.00 0.00 +0.140 A ATOM 26 C LIG 1 0.705 -0.273 3.234 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -0.362 0.617 3.186 0.00 0.00 +0.045 A ATOM 28 CL LIG 1 -1.605 0.525 4.369 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 -0.431 1.582 2.182 0.00 0.00 +0.031 A BRANCH 24 30 ATOM 30 C LIG 1 2.713 0.831 0.276 0.00 0.00 +0.103 C ATOM 31 N LIG 1 3.546 0.892 -0.530 0.00 0.00 -0.191 NA ENDBRANCH 24 30 BRANCH 25 32 ATOM 32 O LIG 1 2.759 -1.075 2.339 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 2.417 -2.393 1.849 0.00 0.00 +0.174 C ATOM 34 C LIG 1 3.065 -2.809 0.557 0.00 0.00 +0.048 C ATOM 35 C LIG 1 3.555 -3.377 1.855 0.00 0.00 +0.048 C ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 3 23 TORSDOF 7