REMARK Name = BDB025220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.839 0.933 -0.077 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.911 -0.123 -0.053 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.358 -1.509 -0.336 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.231 -2.059 0.806 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.227 -2.523 -0.573 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.102 -1.895 -1.363 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.583 -0.738 -0.562 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.203 -0.466 -0.459 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.147 -1.150 -1.002 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.944 -0.505 -0.637 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.628 0.578 0.164 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.753 0.628 0.266 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.637 1.503 0.903 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.008 1.233 0.788 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.500 0.135 0.068 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.595 2.122 0.097 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.526 1.542 0.803 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.188 2.494 -0.210 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.149 3.500 0.441 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.115 2.828 1.421 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.400 1.953 2.449 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.525 0.901 1.775 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.400 4.633 1.114 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.234 4.632 1.468 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.174 5.716 1.311 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.579 6.365 1.743 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.084 1.542 -0.437 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.105 0.504 -0.372 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.308 -0.932 -1.073 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -2.704 -2.260 -0.422 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -4.001 -2.742 -0.903 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -5.162 -2.184 -0.366 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -5.184 -1.302 0.488 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -6.447 -2.712 -0.903 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -6.444 -3.642 -1.866 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -5.202 -4.143 -2.394 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -4.039 -3.692 -1.911 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7