REMARK Name = BDB058238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.135 -0.199 -2.544 0.00 0.00 -0.195 N ATOM 2 C LIG 1 0.839 0.717 -2.318 0.00 0.00 +0.273 C ATOM 3 O LIG 1 0.688 1.851 -1.892 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.131 0.057 -2.719 0.00 0.00 +0.216 C ATOM 5 C LIG 1 3.153 -0.112 -1.632 0.00 0.00 +0.008 A ATOM 6 C LIG 1 4.436 0.138 -2.128 0.00 0.00 -0.038 A ATOM 7 C LIG 1 5.556 0.012 -1.319 0.00 0.00 +0.027 A ATOM 8 C LIG 1 5.388 -0.354 0.025 0.00 0.00 +0.035 A ATOM 9 C LIG 1 4.096 -0.609 0.515 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.391 0.475 -3.585 0.00 0.00 +0.040 C ATOM 11 C LIG 1 2.972 -0.493 -0.312 0.00 0.00 +0.010 A ATOM 12 C LIG 1 2.913 0.852 -3.776 0.00 0.00 +0.067 C ATOM 13 O LIG 1 1.731 -1.214 -3.233 0.00 0.00 -0.429 OA ATOM 14 C LIG 1 0.383 -1.334 -3.059 0.00 0.00 +0.411 C ATOM 15 O LIG 1 -0.244 -2.333 -3.374 0.00 0.00 -0.226 OA ENDROOT BRANCH 8 16 ATOM 16 N LIG 1 6.555 -0.475 0.806 0.00 0.00 -0.269 N ATOM 17 H LIG 1 7.426 -0.241 0.354 0.00 0.00 +0.156 HD ATOM 18 C LIG 1 6.641 -0.668 2.167 0.00 0.00 +0.304 C ATOM 19 N LIG 1 7.963 -0.845 2.543 0.00 0.00 -0.302 N ATOM 20 H LIG 1 8.525 -1.334 1.864 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 8.267 -1.116 3.927 0.00 0.00 +0.129 C ATOM 22 O LIG 1 5.722 -0.676 2.973 0.00 0.00 -0.253 OA ENDBRANCH 8 16 BRANCH 1 23 ATOM 23 C LIG 1 -1.520 -0.037 -2.164 0.00 0.00 +0.215 C BRANCH 23 26 ATOM 24 C LIG 1 -3.129 -0.697 1.284 0.00 0.00 +0.077 C ATOM 25 N LIG 1 -2.964 -0.393 -0.147 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -1.695 -0.505 -0.712 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -0.737 -0.951 -0.072 0.00 0.00 -0.274 OA ATOM 28 C LIG 1 -4.153 0.025 -0.883 0.00 0.00 +0.143 C ATOM 29 C LIG 1 -4.373 1.519 -0.841 0.00 0.00 -0.027 A ATOM 30 C LIG 1 -4.196 2.297 0.322 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.415 3.687 0.244 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.838 4.292 -0.938 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.049 3.520 -2.071 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.726 1.755 1.659 0.00 0.00 +0.037 C ATOM 35 C LIG 1 -4.821 2.146 -2.022 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.073 0.298 1.977 0.00 0.00 +0.027 C BRANCH 24 37 ATOM 37 C LIG 1 -3.553 -2.174 1.456 0.00 0.00 +0.022 C BRANCH 37 39 ATOM 38 C LIG 1 -4.969 -2.619 3.531 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -3.583 -2.672 2.904 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 24 37 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 5