REMARK Name = BDB016432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.759 0.384 -0.190 0.00 0.00 +0.063 A ATOM 2 C LIG 1 3.589 -0.766 -0.244 0.00 0.00 +0.082 A ATOM 3 C LIG 1 3.367 -1.664 -1.298 0.00 0.00 +0.180 A ATOM 4 F LIG 1 4.073 -2.802 -1.391 0.00 0.00 -0.200 F ATOM 5 C LIG 1 2.374 -1.441 -2.251 0.00 0.00 +0.164 A ATOM 6 F LIG 1 2.190 -2.343 -3.228 0.00 0.00 -0.202 F ATOM 7 C LIG 1 1.555 -0.314 -2.198 0.00 0.00 -0.004 A ATOM 8 C LIG 1 1.746 0.595 -1.147 0.00 0.00 +0.022 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 2.826 2.698 0.578 0.00 0.00 -0.191 N ATOM 10 H LIG 1 2.351 2.998 -0.262 0.00 0.00 +0.183 HD ATOM 11 C LIG 1 2.946 1.365 0.919 0.00 0.00 +0.269 C ATOM 12 O LIG 1 3.227 0.948 2.039 0.00 0.00 -0.268 OA BRANCH 9 14 ATOM 13 C LIG 1 3.935 4.165 1.970 0.00 0.00 +0.226 C ATOM 14 O LIG 1 2.672 3.573 1.681 0.00 0.00 -0.283 OA ENDBRANCH 9 14 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 N LIG 1 4.621 -0.934 0.707 0.00 0.00 -0.309 N ATOM 16 H LIG 1 4.397 -0.517 1.621 0.00 0.00 +0.152 HD BRANCH 15 17 ATOM 17 C LIG 1 5.874 -1.573 0.686 0.00 0.00 +0.067 A ATOM 18 C LIG 1 6.466 -1.952 1.904 0.00 0.00 +0.145 A ATOM 19 F LIG 1 5.835 -1.673 3.056 0.00 0.00 -0.204 F ATOM 20 C LIG 1 7.692 -2.609 1.964 0.00 0.00 +0.054 A ATOM 21 C LIG 1 8.357 -2.904 0.780 0.00 0.00 +0.016 A ATOM 22 I LIG 1 10.188 -3.884 0.836 0.00 0.00 -0.044 I ATOM 23 C LIG 1 7.801 -2.542 -0.447 0.00 0.00 +0.016 A ATOM 24 C LIG 1 6.566 -1.881 -0.489 0.00 0.00 +0.027 A ENDBRANCH 15 17 ENDBRANCH 2 15 BRANCH 7 25 ATOM 25 C LIG 1 0.472 -0.106 -3.228 0.00 0.00 +0.076 C BRANCH 25 26 ATOM 26 C LIG 1 -0.910 -0.380 -2.701 0.00 0.00 -0.003 A ATOM 27 C LIG 1 -1.784 0.666 -2.413 0.00 0.00 +0.168 A ATOM 28 F LIG 1 -1.414 1.940 -2.616 0.00 0.00 -0.202 F ATOM 29 C LIG 1 -3.041 0.375 -1.894 0.00 0.00 +0.175 A ATOM 30 N LIG 1 -3.474 -0.874 -1.619 0.00 0.00 -0.236 NA ATOM 31 C LIG 1 -2.619 -1.879 -1.919 0.00 0.00 +0.113 A ATOM 32 C LIG 1 -1.350 -1.686 -2.452 0.00 0.00 +0.026 A BRANCH 29 33 ATOM 33 N LIG 1 -3.922 1.419 -1.499 0.00 0.00 -0.187 N ATOM 34 H LIG 1 -3.687 2.300 -1.955 0.00 0.00 +0.176 HD BRANCH 33 35 ATOM 35 S LIG 1 -3.892 1.704 0.154 0.00 0.00 +0.111 S ATOM 36 O LIG 1 -2.530 1.572 0.613 0.00 0.00 -0.138 OA ATOM 37 O LIG 1 -4.651 2.911 0.373 0.00 0.00 -0.138 OA BRANCH 35 38 ATOM 38 N LIG 1 -4.770 0.391 0.698 0.00 0.00 -0.171 NA ATOM 39 H LIG 1 -4.330 -0.467 0.355 0.00 0.00 +0.150 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.260 0.314 0.840 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -6.750 -0.831 1.779 0.00 0.00 +0.023 C ATOM 42 C LIG 1 -7.792 0.146 2.354 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -6.901 1.300 1.861 0.00 0.00 +0.023 C ATOM 44 C LIG 1 -6.918 0.295 -0.538 0.00 0.00 +0.029 C ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 10