REMARK Name = BDB007925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.282 0.643 -2.004 0.00 0.00 +0.317 C ATOM 2 O LIG 1 -1.771 1.224 -1.042 0.00 0.00 -0.250 OA ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -1.640 -0.614 -2.486 0.00 0.00 -0.425 OA BRANCH 3 8 ATOM 4 C LIG 1 -4.542 -2.510 -0.148 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -4.934 -1.676 -1.208 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.983 -1.040 -2.018 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.425 -0.134 -3.127 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -2.629 -1.230 -1.716 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.219 -2.079 -0.687 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -3.177 -2.716 0.098 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 11 C LIG 1 -5.581 -3.143 0.749 0.00 0.00 +0.078 C BRANCH 11 12 ATOM 12 C LIG 1 -5.772 -2.368 2.056 0.00 0.00 +0.230 C BRANCH 12 13 ATOM 13 C LIG 1 -6.624 -3.213 3.003 0.00 0.00 +0.334 C ATOM 14 O LIG 1 -6.300 -4.303 3.449 0.00 0.00 -0.248 OA BRANCH 13 15 ATOM 15 O LIG 1 -7.809 -2.618 3.299 0.00 0.00 -0.479 OA ATOM 16 H LIG 1 -7.839 -1.763 2.808 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 O LIG 1 -6.508 -1.145 1.815 0.00 0.00 -0.365 OA BRANCH 17 19 ATOM 18 C LIG 1 -6.511 1.233 1.597 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -5.689 0.018 1.975 0.00 0.00 +0.157 C ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 3 8 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -0.181 1.207 -2.873 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 1.115 1.382 -2.125 0.00 0.00 -0.037 A ATOM 22 C LIG 1 1.351 2.538 -1.372 0.00 0.00 +0.006 A ATOM 23 C LIG 1 2.547 2.688 -0.663 0.00 0.00 +0.024 A ATOM 24 C LIG 1 3.524 1.686 -0.688 0.00 0.00 +0.036 A ATOM 25 C LIG 1 3.284 0.530 -1.431 0.00 0.00 +0.024 A ATOM 26 C LIG 1 2.088 0.377 -2.142 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 N LIG 1 4.696 1.913 0.051 0.00 0.00 -0.251 N ATOM 28 H LIG 1 4.778 2.783 0.557 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 5.782 1.097 0.201 0.00 0.00 +0.405 C ATOM 30 O LIG 1 5.957 -0.009 -0.281 0.00 0.00 -0.226 OA BRANCH 29 31 ATOM 31 O LIG 1 6.668 1.741 1.004 0.00 0.00 -0.444 OA BRANCH 31 32 ATOM 32 C LIG 1 7.934 1.128 1.361 0.00 0.00 +0.107 C ATOM 33 C LIG 1 8.809 0.891 0.126 0.00 0.00 +0.055 C ATOM 34 C LIG 1 7.722 -0.157 2.171 0.00 0.00 +0.055 C ATOM 35 C LIG 1 8.627 2.164 2.260 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13