REMARK Name = BDB057932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.949 0.091 1.226 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.534 0.785 2.280 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.161 0.558 3.547 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.519 1.735 2.032 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.942 1.971 0.721 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.396 1.245 -0.350 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.384 0.309 -0.087 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -5.295 1.963 1.058 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -5.091 0.753 1.038 0.00 0.00 +0.247 C ATOM 10 N LIG 1 -4.083 0.124 1.763 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -3.209 0.941 2.610 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -1.741 0.825 2.173 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.299 -0.572 2.003 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.071 -0.942 1.468 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.207 -2.091 1.128 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.317 -1.602 2.225 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -3.630 -1.255 1.507 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 -5.960 -0.073 0.175 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -5.975 0.180 -1.199 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -6.804 -0.583 -2.020 0.00 0.00 +0.014 A ATOM 21 I LIG 1 -6.827 -0.236 -4.069 0.00 0.00 -0.044 I ATOM 22 C LIG 1 -7.621 -1.577 -1.476 0.00 0.00 +0.014 A ATOM 23 C LIG 1 -7.618 -1.807 -0.098 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -6.792 -1.050 0.733 0.00 0.00 +0.013 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 2.860 1.484 -1.770 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 4.375 1.440 -1.929 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.085 0.135 -1.950 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.472 0.169 -2.085 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.218 -1.016 -2.110 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.569 -2.244 -1.999 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.182 -2.287 -1.864 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.151 1.470 -2.201 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.368 1.548 -2.323 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.343 2.579 -2.165 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.795 3.485 -2.247 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.439 -1.102 -1.841 0.00 0.00 +0.010 A ATOM 37 N LIG 1 4.990 2.582 -2.031 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4