REMARK Name = BDB022740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.384 -1.487 -1.492 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.556 -0.138 -1.921 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.344 0.174 -2.510 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.458 -0.918 -2.378 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.159 -1.958 -1.782 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.684 0.779 -1.847 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.654 0.486 -0.923 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.489 -0.208 -0.193 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.745 1.779 -2.559 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.752 1.405 -0.700 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 5.687 0.942 0.389 0.00 0.00 +0.097 A ATOM 12 C LIG 1 6.962 1.488 0.475 0.00 0.00 +0.187 A ATOM 13 F LIG 1 7.364 2.406 -0.418 0.00 0.00 -0.200 F ATOM 14 C LIG 1 7.821 1.076 1.494 0.00 0.00 +0.158 A ATOM 15 C LIG 1 7.367 0.126 2.406 0.00 0.00 +0.068 A ATOM 16 C LIG 1 6.075 -0.360 2.262 0.00 0.00 +0.115 A ATOM 17 N LIG 1 5.227 0.027 1.287 0.00 0.00 -0.255 NA BRANCH 14 18 ATOM 18 O LIG 1 9.063 1.652 1.498 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 9.931 1.323 2.575 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 2.368 -2.380 -0.809 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 1.732 -2.079 1.457 0.00 0.00 +0.194 C ATOM 22 O LIG 1 2.756 -1.895 0.484 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 -1.821 -1.055 -2.870 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -2.834 -0.856 -1.770 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -3.290 0.426 -1.437 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.219 0.603 -0.409 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.719 -0.498 0.304 0.00 0.00 -0.026 A ATOM 28 C LIG 1 -4.244 -1.776 -0.015 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.310 -1.953 -1.040 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -5.691 -0.317 1.446 0.00 0.00 +0.178 C BRANCH 30 31 ATOM 31 N LIG 1 -6.829 0.524 1.092 0.00 0.00 -0.267 N ATOM 32 N LIG 1 -6.932 1.768 1.606 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 -8.081 2.225 1.100 0.00 0.00 +0.137 A ATOM 34 C LIG 1 -8.730 1.277 0.277 0.00 0.00 -0.013 A ATOM 35 C LIG 1 -10.014 1.423 -0.446 0.00 0.00 +0.047 C ATOM 36 C LIG 1 -7.893 0.180 0.304 0.00 0.00 +0.112 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10