REMARK Name = BDB035658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.808 0.060 0.646 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.389 0.330 1.321 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.609 0.928 2.358 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.471 -0.275 0.533 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.830 -0.276 0.787 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.670 -0.935 -0.122 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.111 -1.556 -1.265 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.724 -1.545 -1.509 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.917 -0.889 -0.583 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.566 -0.704 -0.570 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.559 0.480 0.635 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.240 0.112 0.272 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.115 0.457 1.047 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.334 1.204 2.206 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.620 1.607 2.571 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.719 1.260 1.789 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.759 0.121 -0.275 0.00 0.00 +0.246 C BRANCH 17 20 ATOM 18 C LIG 1 8.469 -1.127 -1.486 0.00 0.00 +0.151 C ATOM 19 N LIG 1 8.153 -0.865 -0.106 0.00 0.00 -0.318 N ATOM 20 C LIG 1 7.009 -0.340 0.464 0.00 0.00 +0.179 A ATOM 21 N LIG 1 7.174 -0.376 1.777 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 8.421 -0.860 2.062 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 8.999 -1.150 0.925 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.064 1.356 -1.180 0.00 0.00 +0.430 C ATOM 25 F LIG 1 7.002 1.079 -2.123 0.00 0.00 -0.167 F ATOM 26 F LIG 1 6.528 2.416 -0.475 0.00 0.00 -0.167 F ATOM 27 F LIG 1 4.964 1.774 -1.857 0.00 0.00 -0.167 F ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 5.373 -1.045 -1.049 0.00 0.00 -0.369 OA ATOM 29 H LIG 1 5.134 -1.724 -0.389 0.00 0.00 +0.212 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.128 -2.204 -2.723 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.196 -3.141 -2.395 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.040 -2.838 -3.508 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.488 -1.314 -3.530 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.166 -0.943 0.104 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.746 0.325 -0.331 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.565 0.453 -1.325 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.161 0.457 0.042 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.544 1.951 -0.179 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.218 1.915 1.209 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.280 0.742 1.565 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.092 -0.557 -0.597 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9