REMARK Name = BDB039502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.668 5.557 -1.770 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -2.433 4.569 -1.048 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.949 3.342 -0.670 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.967 2.672 0.001 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.698 1.377 0.488 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.400 0.885 0.246 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.453 1.654 -0.441 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.094 3.543 0.008 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.704 2.894 -0.919 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -3.735 4.705 -0.642 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.914 1.151 -0.708 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.627 0.402 0.254 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.905 -0.049 -0.045 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.864 -0.822 0.795 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.976 -1.054 -0.117 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.823 -0.353 -1.305 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.622 -0.218 -2.211 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.481 0.239 -1.278 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.835 0.977 -2.247 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.546 1.431 -1.950 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.242 -1.603 0.356 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.176 -0.494 0.866 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.773 0.542 1.394 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.523 -0.770 0.819 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.133 -0.054 1.188 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.130 -1.944 0.449 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.337 -2.107 0.602 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.227 -3.044 -0.059 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.958 -2.476 -0.674 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.705 0.535 1.241 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.862 0.144 0.430 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.562 -0.744 -0.703 0.00 0.00 +0.088 C ATOM 33 C LIG 1 -4.902 -2.236 -0.500 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -6.364 -2.360 -0.086 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.271 -1.789 1.324 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -5.067 -2.542 1.908 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -4.168 -2.845 0.702 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -6.024 -0.270 1.230 0.00 0.00 +0.088 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4