REMARK Name = BDB034144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.925 -0.445 0.817 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.600 -0.430 0.560 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.754 -0.529 1.603 0.00 0.00 +0.168 A ATOM 4 N LIG 1 -0.360 -0.499 1.360 0.00 0.00 -0.305 N ATOM 5 C LIG 1 0.382 -1.118 2.462 0.00 0.00 +0.148 C ATOM 6 C LIG 1 -0.082 -0.500 3.781 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -1.469 -0.759 4.034 0.00 0.00 -0.485 OA ATOM 8 C LIG 1 -2.237 -0.629 2.909 0.00 0.00 +0.178 A ATOM 9 C LIG 1 -3.606 -0.639 3.063 0.00 0.00 +0.162 A ATOM 10 N LIG 1 -4.474 -0.541 2.040 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -5.705 -1.298 -0.700 0.00 0.00 +0.229 A ATOM 12 C LIG 1 -4.821 -0.299 -0.316 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -4.850 0.856 -1.098 0.00 0.00 +0.062 A ATOM 14 N LIG 1 -5.688 0.972 -2.163 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -6.494 -0.061 -2.429 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -6.549 -1.206 -1.748 0.00 0.00 -0.201 NA BRANCH 13 17 ATOM 17 C LIG 1 -3.948 2.046 -0.812 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -4.481 3.456 -0.946 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -4.188 2.900 0.414 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -6.696 -3.406 -0.369 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -5.682 -2.484 0.015 0.00 0.00 -0.479 OA ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 0.017 -0.849 -0.013 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 1.472 -0.522 -0.291 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.374 -1.524 -0.672 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.710 -1.211 -0.942 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.172 0.107 -0.828 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.264 1.111 -0.471 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.928 0.800 -0.201 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.563 0.467 -1.112 0.00 0.00 +0.141 A ATOM 30 N LIG 1 6.680 -0.149 -0.588 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.712 -1.213 0.387 0.00 0.00 +0.150 C ATOM 32 C LIG 1 7.791 0.468 -1.098 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.320 1.487 -1.906 0.00 0.00 +0.162 A ATOM 34 N LIG 1 5.933 1.475 -1.882 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 8.102 2.490 -2.703 0.00 0.00 +0.436 C ATOM 36 F LIG 1 7.878 2.380 -4.039 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.445 2.338 -2.526 0.00 0.00 -0.164 F ATOM 38 F LIG 1 7.813 3.771 -2.353 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7