REMARK Name = BDB038397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.868 1.968 0.567 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.561 1.770 0.323 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.016 0.551 0.464 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.798 -0.538 0.836 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.170 -0.370 1.075 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.694 0.919 0.948 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.365 0.400 0.216 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.218 1.436 -0.166 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.028 2.619 -0.377 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.557 0.844 -0.302 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.741 1.462 -0.662 0.00 0.00 +0.019 A ATOM 12 C LIG 1 5.899 0.677 -0.719 0.00 0.00 -0.021 A ATOM 13 C LIG 1 5.823 -0.704 -0.410 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.609 -1.318 -0.047 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.477 -0.511 0.001 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.067 -0.861 0.350 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.529 -2.784 0.284 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.623 -3.434 -0.498 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.122 -2.996 1.567 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.703 -3.452 0.141 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 7.221 1.287 -1.104 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 8.139 1.163 -0.028 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 7.666 1.414 0.784 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 24 ATOM 24 C LIG 1 -3.020 -1.524 1.441 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.212 -1.874 0.753 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -4.975 -2.970 1.194 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -4.560 -3.727 2.280 0.00 0.00 +0.124 A ATOM 28 F LIG 1 -5.295 -4.773 2.679 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -3.397 -3.411 2.961 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -2.636 -2.316 2.548 0.00 0.00 +0.012 A BRANCH 25 31 ATOM 31 C LIG 1 -4.741 -1.125 -0.389 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.138 -0.918 -1.605 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -2.882 -1.423 -2.088 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -4.999 -0.155 -2.336 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -6.089 0.064 -1.641 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -5.934 -0.556 -0.426 0.00 0.00 -0.129 NA ENDBRANCH 25 31 ENDBRANCH 5 24 BRANCH 1 37 ATOM 37 N LIG 1 -2.445 3.233 0.378 0.00 0.00 -0.329 N ATOM 38 H LIG 1 -2.992 3.474 1.200 0.00 0.00 +0.147 HD BRANCH 37 40 ATOM 39 C LIG 1 -1.246 4.308 -1.485 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -1.520 4.306 0.011 0.00 0.00 +0.099 C ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 8