REMARK Name = BDB035239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.865 2.349 -1.327 0.00 0.00 +0.086 C ATOM 2 C LIG 1 5.888 1.196 -1.408 0.00 0.00 +0.111 A ATOM 3 N LIG 1 5.169 0.778 -0.310 0.00 0.00 -0.284 N ATOM 4 C LIG 1 4.338 -0.346 -0.411 0.00 0.00 +0.263 A ATOM 5 O LIG 1 3.928 -0.951 0.579 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 4.029 -0.858 -1.767 0.00 0.00 +0.069 A ATOM 7 C LIG 1 4.824 -0.342 -2.792 0.00 0.00 +0.078 A ATOM 8 C LIG 1 4.689 -0.839 -4.090 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.776 -1.850 -4.369 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.966 -2.347 -3.350 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.043 -1.837 -2.039 0.00 0.00 -0.019 A ATOM 12 N LIG 1 5.760 0.672 -2.584 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 5.391 1.261 1.067 0.00 0.00 +0.178 C ATOM 14 C LIG 1 5.211 2.772 1.233 0.00 0.00 +0.242 C ATOM 15 O LIG 1 4.541 3.467 0.473 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 5.813 3.328 2.339 0.00 0.00 -0.255 N ATOM 17 H LIG 1 5.706 4.329 2.445 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 6.649 2.720 3.243 0.00 0.00 +0.219 C ATOM 19 O LIG 1 7.202 3.369 4.125 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 6.798 1.221 3.127 0.00 0.00 +0.099 C ATOM 21 C LIG 1 6.697 0.755 1.682 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 2.124 -2.394 -0.961 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 0.824 -2.900 -1.458 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 0.134 -3.703 -0.423 0.00 0.00 +0.100 C ATOM 25 C LIG 1 -0.947 -2.929 0.360 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -2.050 -2.459 -0.504 0.00 0.00 -0.300 NA ATOM 27 C LIG 1 -1.554 -2.111 -1.854 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -0.043 -1.785 -1.915 0.00 0.00 +0.100 C BRANCH 26 29 ATOM 29 C LIG 1 -2.788 -1.366 0.146 0.00 0.00 +0.085 C BRANCH 29 30 ATOM 30 C LIG 1 -4.200 -1.207 -0.445 0.00 0.00 +0.022 C BRANCH 30 31 ATOM 31 C LIG 1 -5.072 -0.089 0.185 0.00 0.00 -0.027 C ATOM 32 C LIG 1 -4.438 1.313 -0.010 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -5.353 2.409 0.566 0.00 0.00 -0.010 C ATOM 34 C LIG 1 -6.711 2.371 -0.152 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -7.373 0.999 0.052 0.00 0.00 -0.010 C ATOM 36 C LIG 1 -7.577 0.748 1.554 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -6.223 0.779 2.279 0.00 0.00 -0.010 C ATOM 38 C LIG 1 -5.566 2.154 2.067 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -6.457 -0.093 -0.522 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -5.306 -0.314 1.700 0.00 0.00 +0.010 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 6