REMARK Name = BDB019728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.844 0.423 -2.045 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.360 -0.459 -1.090 0.00 0.00 +0.140 A ATOM 3 F LIG 1 0.951 -0.386 0.188 0.00 0.00 -0.204 F ATOM 4 C LIG 1 2.289 -1.448 -1.437 0.00 0.00 +0.006 A ATOM 5 C LIG 1 2.684 -1.562 -2.780 0.00 0.00 +0.008 A ATOM 6 C LIG 1 2.172 -0.695 -3.745 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.257 0.293 -3.380 0.00 0.00 +0.016 A ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -0.404 1.724 -0.386 0.00 0.00 -0.307 N ATOM 9 H LIG 1 0.008 1.118 0.314 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.141 1.493 -1.716 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -0.674 2.129 -2.621 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 12 C LIG 1 -1.420 2.651 0.053 0.00 0.00 +0.140 C BRANCH 12 17 ATOM 13 C LIG 1 -3.957 0.937 2.331 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -4.900 0.487 1.401 0.00 0.00 +0.091 A ATOM 15 C LIG 1 -4.718 0.738 0.038 0.00 0.00 +0.124 A ATOM 16 C LIG 1 -3.590 1.444 -0.389 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -2.642 1.911 0.530 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -2.833 1.642 1.890 0.00 0.00 +0.051 A BRANCH 13 20 ATOM 19 C LIG 1 -5.137 0.053 4.200 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.013 0.754 3.687 0.00 0.00 -0.495 OA ENDBRANCH 13 20 BRANCH 15 21 ATOM 21 O LIG 1 -5.558 0.350 -0.970 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -6.729 -0.366 -0.601 0.00 0.00 +0.277 C ENDBRANCH 15 21 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 2.820 -2.390 -0.386 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 4.270 -2.493 -0.438 0.00 0.00 -0.313 N ATOM 25 H LIG 1 4.603 -3.415 -0.186 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 5.046 -1.522 0.097 0.00 0.00 +0.176 C ATOM 27 N LIG 1 6.367 -1.839 0.126 0.00 0.00 -0.316 N ATOM 28 H LIG 1 6.684 -2.299 -0.719 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 7.082 -0.620 0.451 0.00 0.00 +0.127 C ATOM 30 C LIG 1 5.957 0.259 1.003 0.00 0.00 +0.163 C ATOM 31 N LIG 1 4.684 -0.358 0.544 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8