REMARK Name = BDB041156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.708 1.537 0.139 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -2.183 2.841 0.188 0.00 0.00 +0.192 A ATOM 3 C LIG 1 -3.528 3.121 0.032 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -3.656 4.524 0.137 0.00 0.00 +0.069 A ATOM 5 C LIG 1 -2.383 5.009 0.347 0.00 0.00 +0.198 A ATOM 6 N LIG 1 -4.459 2.167 -0.174 0.00 0.00 -0.224 NA ATOM 7 C LIG 1 -3.941 0.922 -0.224 0.00 0.00 +0.169 A ATOM 8 O LIG 1 -1.477 3.992 0.378 0.00 0.00 -0.458 OA ATOM 9 N LIG 1 -2.637 0.574 -0.075 0.00 0.00 -0.209 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.881 -0.170 -0.412 0.00 0.00 +0.102 A ATOM 11 C LIG 1 -5.133 -1.115 0.584 0.00 0.00 +0.062 A ATOM 12 N LIG 1 -6.008 -2.136 0.386 0.00 0.00 -0.239 NA ATOM 13 C LIG 1 -6.629 -2.198 -0.797 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -6.464 -1.349 -1.812 0.00 0.00 -0.201 NA ATOM 15 C LIG 1 -5.587 -0.348 -1.593 0.00 0.00 +0.229 A BRANCH 11 16 ATOM 16 C LIG 1 -4.445 -1.060 1.938 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.796 0.034 2.921 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.217 -1.377 3.199 0.00 0.00 +0.010 C ENDBRANCH 11 16 BRANCH 15 19 ATOM 19 O LIG 1 -5.342 0.543 -2.625 0.00 0.00 -0.479 OA ATOM 20 C LIG 1 -6.163 0.338 -3.769 0.00 0.00 +0.279 C ENDBRANCH 15 19 ENDBRANCH 7 10 BRANCH 1 21 ATOM 21 N LIG 1 -0.363 1.222 0.316 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.235 2.028 0.157 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.076 -0.002 -0.328 0.00 0.00 +0.138 C BRANCH 23 27 ATOM 24 C LIG 1 4.358 -0.365 0.191 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.822 -0.031 -1.055 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.441 0.085 -1.231 0.00 0.00 +0.009 A ATOM 27 C LIG 1 1.571 -0.138 -0.157 0.00 0.00 -0.030 A ATOM 28 C LIG 1 2.114 -0.465 1.094 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.498 -0.580 1.267 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 5.722 -0.445 0.222 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 6.328 -0.798 1.470 0.00 0.00 +0.257 C BRANCH 31 32 ATOM 32 C LIG 1 7.847 -0.853 1.288 0.00 0.00 +0.200 C BRANCH 32 33 ATOM 33 O LIG 1 8.325 -2.120 0.822 0.00 0.00 -0.377 OA BRANCH 33 35 ATOM 34 C LIG 1 8.542 -1.605 -1.567 0.00 0.00 +0.034 C ATOM 35 C LIG 1 7.934 -2.493 -0.497 0.00 0.00 +0.156 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 11