REMARK Name = BDB035659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.620 -0.897 1.123 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.604 -1.367 1.614 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.882 -2.347 2.280 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.637 -0.425 1.164 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.000 -0.462 1.394 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.785 0.564 0.851 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.168 1.585 0.087 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.779 1.606 -0.141 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.028 0.577 0.419 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.443 0.328 0.357 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.343 -1.460 0.925 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -3.050 -0.926 0.735 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.900 -1.483 1.332 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.067 -2.614 2.135 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.331 -3.163 2.347 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.454 -2.591 1.752 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.593 -0.857 0.253 0.00 0.00 +0.152 C BRANCH 17 18 ATOM 18 C LIG 1 -5.580 0.670 0.286 0.00 0.00 +0.170 A ATOM 19 N LIG 1 -5.121 1.569 -0.652 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -4.514 1.350 -1.938 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.349 2.810 -0.131 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.897 2.702 1.052 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -6.043 1.367 1.315 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 -5.921 -3.015 -1.158 0.00 0.00 +0.011 C ATOM 25 C LIG 1 -5.882 -1.475 -1.157 0.00 0.00 +0.027 C ATOM 26 C LIG 1 -7.223 -0.994 -1.746 0.00 0.00 +0.011 C ENDBRANCH 17 25 BRANCH 17 27 ATOM 27 O LIG 1 -6.726 -1.213 1.078 0.00 0.00 -0.376 OA ATOM 28 H LIG 1 -6.816 -0.489 1.731 0.00 0.00 +0.211 HD ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.124 2.691 -0.951 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.267 3.441 -0.204 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.370 2.188 -1.969 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.994 3.564 -1.522 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.284 0.576 1.056 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.965 0.272 -0.202 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.699 -0.668 -0.497 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.418 0.475 -0.118 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.737 1.997 -0.134 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.771 1.706 -1.242 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.960 0.436 -1.579 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.140 -0.423 0.870 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9