REMARK Name = BDB035838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.675 1.153 -0.581 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.353 2.092 -0.712 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.327 3.305 -0.817 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.618 1.347 -0.702 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.908 1.837 -0.803 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.963 0.917 -0.765 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.680 -0.463 -0.617 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.361 -0.946 -0.517 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.335 -0.006 -0.562 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.145 -0.201 -0.476 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.405 0.581 -0.349 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.002 0.381 -0.397 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.071 1.424 -0.550 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.574 2.721 -0.668 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.947 2.963 -0.632 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.845 1.909 -0.474 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.924 -1.902 -1.076 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.927 -0.493 -0.439 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.400 -0.661 -0.147 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.410 -1.711 -1.313 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.140 -1.323 1.276 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.240 -0.730 2.506 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.599 0.627 2.812 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.908 -1.690 3.412 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.620 -2.805 2.784 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.762 -2.574 1.438 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.713 -3.316 -2.878 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.747 -2.040 -2.253 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.066 -2.412 -0.349 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.188 -2.870 -1.284 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.501 -2.686 0.858 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.165 -3.208 -0.444 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.397 1.389 -0.855 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.058 1.256 0.446 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.528 1.806 1.124 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.454 1.672 0.331 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.129 1.498 1.712 0.00 0.00 +0.027 C ATOM 38 C LIG 1 9.322 0.853 0.961 0.00 0.00 +0.058 C ATOM 39 C LIG 1 8.313 0.481 -0.156 0.00 0.00 +0.027 C BRANCH 38 40 ATOM 40 C LIG 1 10.002 -0.300 1.654 0.00 0.00 +0.344 C ATOM 41 F LIG 1 10.899 -0.854 0.799 0.00 0.00 -0.209 F ATOM 42 F LIG 1 10.711 0.182 2.706 0.00 0.00 -0.209 F ENDBRANCH 38 40 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9