REMARK Name = BDB024811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.296 -3.392 -1.239 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.176 -2.095 -0.713 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.303 -1.525 0.054 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.173 -1.851 1.546 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.473 -0.034 -0.222 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.217 0.725 0.139 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.992 0.072 -0.435 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.801 0.827 -0.550 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.577 2.143 -0.220 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.692 2.382 -0.486 0.00 0.00 +0.113 A ATOM 11 N LIG 1 1.293 1.258 -1.010 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.356 0.248 -1.050 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.407 -1.084 -1.445 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.772 -1.832 -1.318 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.977 -1.292 -0.835 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -2.527 -3.938 -2.022 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.592 -5.358 -1.289 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.423 -4.030 -0.792 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.671 1.135 -1.450 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 3.512 0.445 -0.396 0.00 0.00 +0.233 C ATOM 21 N LIG 1 4.087 -0.743 -0.802 0.00 0.00 -0.310 N ATOM 22 H LIG 1 3.812 -1.149 -1.686 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.655 0.906 0.734 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.680 -1.648 0.160 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 3.692 -2.722 0.532 0.00 0.00 -0.027 A ATOM 26 C LIG 1 2.624 -2.437 1.390 0.00 0.00 +0.025 A ATOM 27 C LIG 1 1.709 -3.439 1.670 0.00 0.00 +0.111 A ATOM 28 N LIG 1 1.789 -4.689 1.166 0.00 0.00 -0.263 NA ATOM 29 C LIG 1 2.826 -4.946 0.343 0.00 0.00 +0.111 A ATOM 30 C LIG 1 3.788 -4.009 -0.004 0.00 0.00 +0.025 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 1.393 3.686 -0.276 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 0.595 4.622 0.626 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 1.181 5.950 0.680 0.00 0.00 -0.271 N ATOM 34 N LIG 1 2.429 6.119 1.160 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 2.628 7.436 1.067 0.00 0.00 +0.134 A ATOM 36 C LIG 1 1.521 8.108 0.519 0.00 0.00 +0.041 A ATOM 37 C LIG 1 0.599 7.118 0.276 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8