REMARK Name = BDB025214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.304 -2.139 0.183 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.063 -2.219 0.840 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.796 -3.380 1.715 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.227 -4.555 0.910 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.929 -3.005 2.912 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.605 -2.438 2.453 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.800 -1.364 1.421 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.755 -0.438 1.194 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.537 -0.355 1.815 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.101 0.663 1.267 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.688 1.264 0.301 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.881 0.561 0.243 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -3.036 0.693 -0.525 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.066 -0.235 -0.307 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.987 -1.265 0.645 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.714 -1.214 -0.509 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.404 2.447 -0.507 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.475 3.752 0.307 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.310 4.906 -0.338 0.00 0.00 +0.100 C ATOM 20 C LIG 1 0.299 4.803 -1.866 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.941 3.506 -2.367 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.871 2.361 -1.353 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.253 6.234 0.119 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.812 7.073 -0.565 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.066 6.438 1.438 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.469 7.316 1.605 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -8.354 -3.223 -0.241 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.079 -3.248 0.402 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.481 1.081 1.686 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 2.620 0.412 0.940 0.00 0.00 -0.040 A ATOM 31 C LIG 1 2.529 -0.888 0.435 0.00 0.00 +0.006 A ATOM 32 C LIG 1 3.612 -1.482 -0.230 0.00 0.00 +0.024 A ATOM 33 C LIG 1 4.826 -0.808 -0.394 0.00 0.00 +0.036 A ATOM 34 C LIG 1 4.922 0.485 0.141 0.00 0.00 +0.024 A ATOM 35 C LIG 1 3.841 1.083 0.802 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 N LIG 1 5.932 -1.402 -1.063 0.00 0.00 -0.271 N ATOM 37 C LIG 1 5.912 -2.588 -1.815 0.00 0.00 +0.220 C ATOM 38 O LIG 1 4.990 -3.359 -2.031 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 7.281 -2.764 -2.431 0.00 0.00 +0.098 C ATOM 40 C LIG 1 8.161 -1.870 -1.581 0.00 0.00 +0.029 C ATOM 41 C LIG 1 7.223 -0.761 -1.157 0.00 0.00 +0.114 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7