REMARK Name = BDB058259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.120 1.365 -1.414 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.304 0.748 -2.373 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.256 -0.055 -1.950 0.00 0.00 -0.038 A ATOM 4 C LIG 1 2.264 -0.794 -2.797 0.00 0.00 +0.040 C ATOM 5 C LIG 1 1.673 -1.787 -1.782 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.772 -1.101 -0.412 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.508 -0.365 -0.042 0.00 0.00 +0.273 C ATOM 8 O LIG 1 -0.038 0.536 -0.659 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 0.079 -0.916 1.120 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.888 -1.927 1.497 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.739 -2.638 2.478 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.938 -2.052 0.636 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.978 -0.224 -0.590 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.755 0.400 0.371 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.826 1.199 -0.049 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.840 2.676 0.542 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.634 2.208 -0.095 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.439 1.220 -0.010 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.255 2.727 -1.297 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.166 2.171 -1.899 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.102 2.459 -2.868 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.879 3.615 -1.873 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.184 -0.605 1.747 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.284 -1.471 1.118 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.586 -1.316 1.593 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -4.040 -0.224 2.512 0.00 0.00 +0.218 C ATOM 27 C LIG 1 -4.819 0.859 1.752 0.00 0.00 +0.260 C ATOM 28 O LIG 1 -6.090 0.399 1.277 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -5.984 -0.152 0.028 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -5.272 -1.339 -0.198 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -5.197 -1.830 -1.510 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.844 -1.162 -2.546 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.579 -0.007 -2.306 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -5.767 -1.647 -3.792 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.655 0.499 -1.010 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.631 -2.099 0.932 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.012 -2.281 0.227 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.819 -0.689 3.755 0.00 0.00 +0.411 C ATOM 39 F LIG 1 -4.096 -1.606 4.441 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -5.027 0.353 4.595 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -6.016 -1.237 3.479 0.00 0.00 -0.168 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4