REMARK Name = BDB024393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.924 -1.563 -0.540 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.057 -2.989 -0.069 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -3.013 -3.558 0.756 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -2.702 -4.880 0.867 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.421 -5.883 1.614 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -1.583 -5.217 0.204 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.226 -4.088 -0.410 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.438 -1.120 -0.651 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.291 -1.349 0.508 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.158 -1.875 1.243 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.038 -0.573 -1.676 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.633 -1.010 0.707 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.323 -0.349 -0.232 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.622 -0.050 0.021 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.296 -0.374 1.194 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.554 -1.062 2.157 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.215 -1.383 1.914 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.691 -0.032 1.421 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.462 0.782 0.616 0.00 0.00 +0.122 A ATOM 20 N LIG 1 7.707 0.851 1.190 0.00 0.00 -0.211 N ATOM 21 N LIG 1 7.798 0.123 2.328 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 6.579 -0.408 2.459 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.848 1.612 0.692 0.00 0.00 +0.464 C ATOM 24 F LIG 1 8.459 2.821 0.201 0.00 0.00 -0.183 F ATOM 25 F LIG 1 9.464 0.960 -0.330 0.00 0.00 -0.183 F ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.659 -0.683 0.403 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.211 -0.738 1.316 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.691 0.730 -0.011 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.899 0.549 -1.288 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.446 1.038 -1.327 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -3.333 2.526 -1.643 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.152 3.486 -1.030 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.006 4.843 -1.331 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.034 5.261 -2.244 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -2.202 4.315 -2.850 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -2.350 2.959 -2.549 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -2.886 6.652 -2.551 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -2.766 7.780 -2.797 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10