REMARK Name = BDB025232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.976 -2.044 0.069 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.154 -1.313 -0.813 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.522 -1.202 -2.248 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.773 -0.324 -2.438 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.424 -0.622 -3.159 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.064 -1.143 -2.757 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.821 -0.710 -1.339 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.562 -0.234 -0.912 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.412 -0.052 -1.641 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.494 0.422 -0.802 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.041 0.556 0.471 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.359 0.118 0.416 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.373 0.014 1.373 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.623 -0.453 0.941 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.867 -0.822 -0.391 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.766 -2.255 1.258 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.587 1.071 1.694 0.00 0.00 +0.090 C ATOM 18 C LIG 1 2.016 0.584 1.930 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.613 1.000 3.278 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.874 2.197 3.892 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.468 3.204 2.812 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.493 2.604 1.790 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 2.683 -0.201 4.202 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.992 -0.340 5.207 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 3.589 -1.128 3.793 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 4.019 -0.955 2.913 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.939 -3.330 0.291 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.076 -2.567 -0.557 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.891 0.754 -1.229 0.00 0.00 +0.093 C BRANCH 29 30 ATOM 30 C LIG 1 2.813 -0.481 -1.162 0.00 0.00 +0.115 C BRANCH 30 31 ATOM 31 N LIG 1 4.241 -0.108 -1.142 0.00 0.00 -0.301 N ATOM 32 C LIG 1 4.992 -0.279 0.025 0.00 0.00 +0.216 C ATOM 33 O LIG 1 4.524 -0.693 1.095 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 6.428 0.221 -0.006 0.00 0.00 +0.096 C ATOM 35 C LIG 1 7.095 0.144 -1.369 0.00 0.00 +0.011 C ATOM 36 C LIG 1 6.197 0.798 -2.404 0.00 0.00 +0.019 C ATOM 37 C LIG 1 4.865 0.071 -2.451 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7