REMARK Name = BDB032051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.980 0.312 1.476 0.00 0.00 -0.273 N ATOM 2 C LIG 1 0.582 0.251 1.372 0.00 0.00 +0.167 A ATOM 3 C LIG 1 0.066 0.449 2.631 0.00 0.00 +0.107 A ATOM 4 C LIG 1 -1.284 0.425 2.747 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -2.064 0.217 1.664 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -1.472 0.030 0.459 0.00 0.00 +0.221 A ATOM 7 N LIG 1 1.110 0.629 3.535 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.966 0.839 4.946 0.00 0.00 +0.154 C ATOM 9 N LIG 1 -0.137 0.039 0.269 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 2.326 0.535 2.827 0.00 0.00 +0.331 A ATOM 11 O LIG 1 3.448 0.626 3.298 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 7.428 0.753 -2.085 0.00 0.00 +0.109 C ATOM 13 C LIG 1 6.627 -0.454 -1.665 0.00 0.00 +0.212 C ATOM 14 N LIG 1 5.428 -0.220 -0.990 0.00 0.00 -0.302 N ATOM 15 C LIG 1 4.731 1.066 -1.051 0.00 0.00 +0.110 C ATOM 16 C LIG 1 3.823 1.296 0.151 0.00 0.00 +0.044 C ATOM 17 C LIG 1 2.882 0.106 0.357 0.00 0.00 +0.097 C ATOM 18 C LIG 1 3.701 -1.177 0.518 0.00 0.00 +0.044 C ATOM 19 C LIG 1 4.604 -1.390 -0.691 0.00 0.00 +0.110 C ATOM 20 O LIG 1 7.043 -1.585 -1.913 0.00 0.00 -0.276 OA ENDBRANCH 1 17 BRANCH 6 21 ATOM 21 N LIG 1 -2.214 -0.202 -0.696 0.00 0.00 -0.283 N ATOM 22 H LIG 1 -1.572 -0.316 -1.466 0.00 0.00 +0.155 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.583 -0.242 -0.998 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -4.007 -0.596 -2.297 0.00 0.00 -0.027 A ATOM 25 C LIG 1 -3.028 -0.922 -3.395 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -5.384 -0.650 -2.599 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -6.363 -0.375 -1.658 0.00 0.00 +0.071 A ATOM 28 C LIG 1 -5.948 -0.032 -0.361 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -6.939 0.244 0.592 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -8.280 0.174 0.238 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -8.587 -0.171 -1.063 0.00 0.00 +0.111 A ATOM 32 N LIG 1 -7.661 -0.444 -2.009 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 -4.575 0.027 -0.047 0.00 0.00 +0.033 A ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 3