REMARK Name = BDB021361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.703 3.219 2.015 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.268 2.418 1.471 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.232 1.196 1.499 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.520 1.193 2.000 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.287 0.019 2.111 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.765 -1.136 1.797 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.480 -1.143 1.298 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.318 -0.066 1.126 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -1.808 2.484 2.377 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.670 -0.258 0.551 0.00 0.00 -0.013 A ATOM 11 C LIG 1 2.090 0.524 -0.531 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.364 0.354 -1.083 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.252 -0.600 -0.564 0.00 0.00 -0.030 A ATOM 14 C LIG 1 3.837 -1.370 0.530 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.562 -1.201 1.082 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 5.640 -0.776 -1.134 0.00 0.00 +0.084 C ATOM 17 N LIG 1 5.652 -0.813 -2.603 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 5.388 -1.739 -2.933 0.00 0.00 +0.123 HD ATOM 19 C LIG 1 7.017 -0.473 -2.985 0.00 0.00 +0.081 C ATOM 20 C LIG 1 7.346 0.680 -2.059 0.00 0.00 +0.017 C ATOM 21 C LIG 1 6.599 0.362 -0.769 0.00 0.00 +0.025 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -0.396 5.774 2.331 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -0.513 4.628 2.179 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -3.589 0.041 2.569 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.872 -0.928 2.692 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.641 0.752 1.845 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -4.705 0.360 0.397 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.161 -0.881 -0.035 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.610 -2.064 0.738 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.223 -2.887 -0.395 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -5.636 -2.471 -1.648 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -5.172 -1.208 -1.387 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -4.732 -0.336 -2.362 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.278 0.917 -1.955 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -4.270 1.252 -0.595 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -3.819 2.465 -0.241 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 6