REMARK Name = BDB035389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.319 0.114 -1.104 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.909 0.075 -1.772 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.196 -0.223 -2.917 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.936 0.475 -0.802 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.302 0.587 -0.988 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.082 0.989 0.104 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.459 1.250 1.349 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.067 1.129 1.522 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.319 0.738 0.415 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.154 0.523 0.284 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.056 -0.406 -1.350 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.752 -0.144 -0.858 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.597 -0.168 -1.662 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.759 -0.464 -3.016 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.026 -0.702 -3.549 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.153 -0.664 -2.729 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.355 -0.378 -0.368 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -5.185 -1.173 0.965 0.00 0.00 +0.059 C ATOM 19 C LIG 1 -6.397 -2.057 0.614 0.00 0.00 +0.111 C ATOM 20 F LIG 1 -7.465 -1.901 1.432 0.00 0.00 -0.242 F ATOM 21 C LIG 1 -6.079 -3.541 0.514 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -6.521 -1.342 -0.745 0.00 0.00 +0.059 C BRANCH 17 25 ATOM 23 C LIG 1 -7.850 0.973 1.387 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.859 1.651 0.599 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.818 1.139 -0.137 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -5.161 2.154 -0.670 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -5.769 3.322 -0.295 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.787 3.007 0.464 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.406 1.404 2.846 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.713 0.326 3.308 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.272 1.747 3.837 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.500 2.417 2.769 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.585 1.114 -0.031 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.247 -0.000 0.651 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.818 -0.868 0.328 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.710 0.038 0.489 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.103 -0.419 -0.944 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.128 -1.371 -0.293 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.262 -1.333 0.985 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.389 1.256 1.089 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7