REMARK Name = BDB019731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.330 -1.158 -0.359 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.513 -0.414 -0.445 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.936 0.356 0.650 0.00 0.00 +0.006 A ATOM 4 C LIG 1 1.164 0.342 1.817 0.00 0.00 +0.128 A ATOM 5 F LIG 1 1.540 1.070 2.878 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.002 -0.418 1.910 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -0.418 -1.182 0.820 0.00 0.00 +0.016 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 -1.091 -1.474 -2.354 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -0.092 -1.970 -1.516 0.00 0.00 +0.247 C ATOM 10 O LIG 1 0.477 -3.045 -1.682 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -1.442 -2.256 -3.527 0.00 0.00 +0.132 C BRANCH 8 12 ATOM 12 C LIG 1 -1.601 -0.102 -2.298 0.00 0.00 +0.143 C BRANCH 12 17 ATOM 13 C LIG 1 -3.673 1.561 0.436 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -4.653 0.598 0.671 0.00 0.00 +0.091 A ATOM 15 C LIG 1 -4.661 -0.601 -0.050 0.00 0.00 +0.124 A ATOM 16 C LIG 1 -3.679 -0.834 -1.014 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -2.672 0.115 -1.254 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -2.694 1.316 -0.528 0.00 0.00 +0.051 A BRANCH 13 20 ATOM 19 C LIG 1 -4.532 3.064 2.065 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -3.559 2.768 1.070 0.00 0.00 -0.495 OA ENDBRANCH 13 20 BRANCH 15 21 ATOM 21 O LIG 1 -5.679 -1.455 0.281 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -5.698 -2.720 -0.370 0.00 0.00 +0.277 C ENDBRANCH 15 21 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 3.208 1.157 0.586 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 4.350 0.289 0.794 0.00 0.00 -0.313 N ATOM 25 H LIG 1 4.288 -0.582 0.274 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 5.616 0.752 0.750 0.00 0.00 +0.176 C ATOM 27 N LIG 1 5.876 1.944 1.345 0.00 0.00 -0.316 N ATOM 28 H LIG 1 5.391 2.058 2.227 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 7.318 2.064 1.425 0.00 0.00 +0.127 C ATOM 30 C LIG 1 7.770 1.007 0.412 0.00 0.00 +0.163 C ATOM 31 N LIG 1 6.604 0.106 0.202 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8