REMARK Name = BDB014332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.858 -1.860 -0.812 0.00 0.00 +0.052 A ATOM 2 N LIG 1 0.855 -0.977 -0.431 0.00 0.00 -0.331 N ATOM 3 C LIG 1 0.362 -0.311 -1.547 0.00 0.00 +0.109 A ATOM 4 C LIG 1 1.060 -0.808 -2.643 0.00 0.00 +0.095 A ATOM 5 N LIG 1 0.830 -0.426 -3.916 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -0.170 0.477 -4.006 0.00 0.00 +0.241 A ATOM 7 N LIG 1 -0.892 1.017 -3.010 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -0.635 0.653 -1.740 0.00 0.00 +0.147 A ATOM 9 C LIG 1 2.002 -1.748 -2.182 0.00 0.00 +0.056 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 2.113 -6.147 1.741 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.723 -4.842 1.324 0.00 0.00 -0.050 A ATOM 12 C LIG 1 2.034 -3.981 0.459 0.00 0.00 +0.013 A ATOM 13 C LIG 1 2.583 -2.745 0.093 0.00 0.00 -0.001 A ATOM 14 C LIG 1 3.836 -2.375 0.589 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.520 -3.219 1.464 0.00 0.00 +0.001 A ATOM 16 C LIG 1 3.963 -4.442 1.836 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 -0.482 0.922 -5.412 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -1.334 1.731 -5.739 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 0.329 0.293 -6.310 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 0.941 -0.314 -5.833 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 -1.334 1.232 -0.680 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.654 1.594 -0.016 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.357 2.238 -1.013 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -2.553 3.129 0.219 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 -3.658 1.550 -1.450 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.977 2.361 -1.606 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.725 1.073 -1.197 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -4.441 0.647 -0.453 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 0.326 -0.855 0.930 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 0.771 0.394 1.660 0.00 0.00 -0.025 A ATOM 31 C LIG 1 2.031 0.976 1.476 0.00 0.00 +0.044 A ATOM 32 C LIG 1 2.392 2.115 2.193 0.00 0.00 +0.127 A ATOM 33 F LIG 1 3.607 2.645 1.990 0.00 0.00 -0.205 F ATOM 34 C LIG 1 1.521 2.708 3.108 0.00 0.00 -0.015 A ATOM 35 C LIG 1 1.946 3.916 3.885 0.00 0.00 +0.047 C ATOM 36 C LIG 1 0.275 2.113 3.322 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.094 0.968 2.608 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8