REMARK Name = BDB010590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.688 0.631 -0.058 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -1.492 -0.385 -0.526 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.160 0.189 -1.598 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.024 -0.466 -2.389 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -3.183 -1.742 -2.038 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.592 -2.400 -1.013 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.827 1.499 -1.756 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.732 -1.720 -0.221 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.988 1.771 -0.783 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.366 2.954 -0.532 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -0.924 3.816 0.585 0.00 0.00 +0.061 C ATOM 12 C LIG 1 -2.416 4.089 0.644 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -1.765 3.277 1.725 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -0.009 5.003 0.893 0.00 0.00 +0.185 C ATOM 15 O LIG 1 0.223 5.772 -0.298 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 0.791 4.961 -1.338 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -0.133 3.798 -1.726 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 18 ATOM 18 C LIG 1 -4.114 -2.558 -2.850 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -4.318 -3.843 -2.513 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.905 -4.343 -1.744 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -5.189 -4.345 -3.397 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -5.615 -5.488 -3.412 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -5.522 -3.354 -4.288 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.789 -2.189 -3.889 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 8 25 ATOM 25 C LIG 1 -1.147 -2.464 0.884 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.538 -2.218 2.210 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -0.972 -2.943 3.259 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 -1.445 -2.603 4.878 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 -0.025 -3.932 3.008 0.00 0.00 +0.020 A ATOM 30 C LIG 1 0.355 -4.206 1.696 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.207 -3.481 0.643 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 1 32 ATOM 32 C LIG 1 0.347 0.536 0.959 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 4.148 -2.390 -0.226 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.387 -0.891 -0.020 0.00 0.00 -0.014 C ATOM 35 C LIG 1 4.026 -0.456 1.402 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.524 -0.498 1.692 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.639 -0.150 0.479 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.414 0.694 -0.538 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.644 -0.049 -1.073 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 5