REMARK Name = BDB000511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.331 1.029 2.701 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.644 1.250 1.327 0.00 0.00 -0.491 OA BRANCH 2 11 ATOM 3 C LIG 1 -3.231 1.286 -0.405 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -4.579 1.420 -0.762 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -5.618 1.644 0.122 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -6.774 1.701 -0.703 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -6.454 1.523 -1.996 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -5.328 1.754 1.490 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.994 1.623 1.903 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -5.082 1.346 -2.025 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -2.965 1.384 0.981 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -8.176 1.922 -0.258 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -8.346 3.164 0.272 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -9.096 1.794 -1.250 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -8.537 1.044 0.718 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -2.145 1.033 -1.419 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -2.733 -1.380 -2.001 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.673 -0.423 -1.474 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.132 0.617 2.792 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.070 1.724 2.312 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.424 1.272 2.328 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.910 0.629 1.221 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.261 0.273 1.310 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.857 -0.386 0.246 0.00 0.00 -0.040 A ATOM 25 C LIG 1 6.262 -0.889 0.159 0.00 0.00 +0.036 C ATOM 26 C LIG 1 6.392 -1.201 -1.339 0.00 0.00 +0.013 C ATOM 27 C LIG 1 4.972 -1.445 -1.898 0.00 0.00 +0.030 C ATOM 28 C LIG 1 4.126 -0.709 -0.898 0.00 0.00 -0.040 A ATOM 29 C LIG 1 2.787 -0.370 -1.001 0.00 0.00 +0.008 A ATOM 30 C LIG 1 2.180 0.302 0.067 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 4.593 -2.912 -2.083 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 4.646 -3.731 -0.824 0.00 0.00 +0.305 C ATOM 33 O LIG 1 5.654 -4.152 -0.280 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 3.429 -3.986 -0.310 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 3.614 -4.474 0.518 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12