REMARK Name = BDB021359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.136 -0.446 -0.833 0.00 0.00 +0.043 A ATOM 2 C LIG 1 1.365 -0.362 -0.114 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.285 -0.010 1.219 0.00 0.00 -0.270 N ATOM 4 C LIG 1 2.561 -0.060 1.730 0.00 0.00 +0.134 A ATOM 5 C LIG 1 3.361 -0.395 0.663 0.00 0.00 +0.159 A ATOM 6 C LIG 1 0.068 0.293 1.853 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.054 0.206 1.193 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.617 -0.569 -0.479 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.987 -0.153 -0.138 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -0.164 -1.478 -5.050 0.00 0.00 +0.045 A ATOM 11 C LIG 1 0.778 -0.534 -4.575 0.00 0.00 +0.073 A ATOM 12 C LIG 1 0.865 -0.200 -3.210 0.00 0.00 +0.029 A ATOM 13 C LIG 1 0.028 -0.800 -2.267 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -0.877 -1.764 -2.719 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -0.962 -2.096 -4.080 0.00 0.00 +0.025 A BRANCH 10 16 ATOM 16 N LIG 1 -0.194 -1.830 -6.394 0.00 0.00 -0.341 N ATOM 17 H LIG 1 0.228 -1.142 -7.016 0.00 0.00 +0.146 HD BRANCH 16 19 ATOM 18 C LIG 1 -0.957 -4.171 -6.748 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.130 -2.700 -7.110 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -2.571 -2.212 -7.030 0.00 0.00 +0.027 C ENDBRANCH 16 19 ENDBRANCH 10 16 BRANCH 11 21 ATOM 21 C LIG 1 1.677 0.134 -5.475 0.00 0.00 +0.101 C ATOM 22 N LIG 1 2.378 0.688 -6.217 0.00 0.00 -0.191 NA ENDBRANCH 11 21 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 C LIG 1 4.782 -0.565 0.669 0.00 0.00 +0.121 C ATOM 24 N LIG 1 5.937 -0.692 0.706 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 0.044 0.659 3.180 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -0.916 0.571 3.507 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 0.533 1.982 3.555 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 0.550 2.104 5.049 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -0.576 2.450 5.791 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -1.966 2.729 5.356 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -2.523 3.311 6.656 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -1.719 2.844 7.762 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -0.526 2.508 7.179 0.00 0.00 +0.124 A ATOM 34 C LIG 1 0.624 2.225 7.889 0.00 0.00 +0.049 A ATOM 35 C LIG 1 1.766 1.882 7.167 0.00 0.00 +0.042 A ATOM 36 C LIG 1 1.720 1.823 5.768 0.00 0.00 +0.129 A ATOM 37 F LIG 1 2.836 1.480 5.106 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 8