REMARK Name = BDB025021 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.456 0.973 0.202 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.151 1.304 -0.187 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.005 2.570 -0.921 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.039 2.344 -2.436 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.773 3.336 -0.448 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.517 2.515 -0.649 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.686 1.093 -0.192 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.536 0.292 0.004 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.219 0.641 -0.139 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.489 -0.430 0.160 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.342 -1.490 0.477 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.648 -1.038 0.378 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.890 -1.646 0.554 0.00 0.00 +0.030 A ATOM 14 C LIG 1 4.029 -0.852 0.354 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.964 0.509 0.012 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.455 1.547 -0.229 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.032 -2.857 0.832 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.831 -2.976 2.142 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -2.172 -3.405 1.898 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -2.251 -4.713 1.332 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -1.269 -4.928 0.181 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -0.695 -3.613 -0.328 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 7.861 -0.272 1.614 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.535 0.014 1.166 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -1.987 -0.465 0.135 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.611 0.894 0.502 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.123 0.859 0.255 0.00 0.00 -0.026 A ATOM 28 C LIG 1 -4.709 1.375 -0.942 0.00 0.00 -0.014 A ATOM 29 C LIG 1 -6.118 1.297 -1.098 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -6.734 1.802 -2.255 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -5.984 2.379 -3.276 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.605 2.454 -3.153 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.906 0.707 -0.100 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -6.327 0.179 1.047 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.978 1.959 -2.006 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.950 0.247 1.221 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 37 ATOM 37 C LIG 1 -2.262 1.270 1.934 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -2.011 0.510 2.857 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -2.292 2.603 2.150 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -2.051 2.697 3.094 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 26 37 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7