REMARK Name = BDB053982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.680 -0.549 -0.142 0.00 0.00 +0.219 C ATOM 2 N LIG 1 -5.456 -0.443 0.528 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -5.327 -0.114 1.977 0.00 0.00 +0.189 C ATOM 4 C LIG 1 -4.090 -0.732 2.646 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -2.859 -0.462 1.824 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -2.967 -0.552 0.431 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -1.834 -0.328 -0.359 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.606 0.003 0.222 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -0.510 0.090 1.610 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -1.632 -0.147 2.411 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -4.278 -0.958 -0.187 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -6.719 -0.917 -1.316 0.00 0.00 -0.275 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -5.300 1.409 2.198 0.00 0.00 +0.326 C ATOM 14 O LIG 1 -5.341 1.937 3.300 0.00 0.00 -0.249 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.217 2.130 1.055 0.00 0.00 -0.479 OA ATOM 16 H LIG 1 -5.118 1.537 0.280 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 1 17 ATOM 17 C LIG 1 -7.933 -0.116 0.607 0.00 0.00 +0.124 C BRANCH 17 18 ATOM 18 C LIG 1 -9.198 -0.336 -0.214 0.00 0.00 +0.169 C BRANCH 18 19 ATOM 19 O LIG 1 -9.604 -1.699 -0.063 0.00 0.00 -0.380 OA BRANCH 19 21 ATOM 20 C LIG 1 -10.177 -2.454 -2.297 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -10.685 -2.059 -0.921 0.00 0.00 +0.156 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 8 22 ATOM 22 O LIG 1 0.406 0.196 -0.677 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 1.686 0.612 -0.193 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 2.543 -0.594 0.184 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 3.825 -0.192 0.812 0.00 0.00 +0.086 A ATOM 26 C LIG 1 4.242 -0.299 2.117 0.00 0.00 +0.126 A ATOM 27 C LIG 1 3.659 -0.817 3.366 0.00 0.00 +0.088 C ATOM 28 O LIG 1 5.497 0.226 2.196 0.00 0.00 -0.441 OA ATOM 29 C LIG 1 5.813 0.639 0.914 0.00 0.00 +0.220 A ATOM 30 N LIG 1 4.818 0.400 0.068 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 7.069 1.239 0.618 0.00 0.00 +0.063 C ATOM 32 C LIG 1 7.386 1.635 -0.626 0.00 0.00 -0.022 C BRANCH 32 33 ATOM 33 C LIG 1 8.687 2.284 -0.989 0.00 0.00 +0.027 C BRANCH 33 34 ATOM 34 C LIG 1 9.717 1.348 -1.633 0.00 0.00 +0.007 C BRANCH 34 35 ATOM 35 C LIG 1 9.411 0.763 -3.028 0.00 0.00 -0.017 C ATOM 36 C LIG 1 8.927 1.813 -4.025 0.00 0.00 +0.007 C ATOM 37 C LIG 1 8.456 -0.430 -2.988 0.00 0.00 +0.007 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 14