REMARK Name = BDB035402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.056 -0.971 0.960 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.381 -0.000 0.213 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.781 0.811 -0.602 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.042 -0.106 0.562 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.104 0.644 0.090 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.383 0.348 0.578 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.547 -0.699 1.519 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.454 -1.452 1.989 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.196 -1.130 1.489 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.135 -1.741 1.785 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.735 -0.652 0.235 0.00 0.00 -0.010 A ATOM 12 C LIG 1 3.347 -0.410 0.239 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.457 -1.216 0.962 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.996 -2.281 1.701 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.371 -2.537 1.707 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.235 -1.730 0.975 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.659 0.244 -0.574 0.00 0.00 +0.215 C BRANCH 17 18 ATOM 18 C LIG 1 6.634 1.026 0.268 0.00 0.00 +0.167 A ATOM 19 N LIG 1 7.724 1.704 -0.222 0.00 0.00 -0.318 N ATOM 20 C LIG 1 8.164 1.804 -1.588 0.00 0.00 +0.151 C ATOM 21 C LIG 1 8.326 2.291 0.847 0.00 0.00 +0.224 A ATOM 22 N LIG 1 7.650 2.019 1.936 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 6.583 1.233 1.574 0.00 0.00 -0.132 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 5.682 -0.961 -2.628 0.00 0.00 +0.195 C ATOM 25 O LIG 1 6.434 -0.549 -1.492 0.00 0.00 -0.367 OA ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 26 ATOM 26 C LIG 1 -2.631 -2.569 2.982 0.00 0.00 +0.418 C ATOM 27 F LIG 1 -3.912 -2.735 3.407 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.883 -2.382 4.104 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -2.241 -3.772 2.476 0.00 0.00 -0.166 F ENDBRANCH 8 26 BRANCH 6 30 ATOM 30 C LIG 1 -4.592 1.123 0.095 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 -5.420 0.273 -0.754 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 -4.865 0.003 -1.566 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -6.769 0.750 -1.093 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -6.944 2.290 -1.123 0.00 0.00 +0.022 C ATOM 35 C LIG 1 -8.244 2.089 -0.309 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -7.683 0.727 0.160 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -7.317 -0.001 -2.301 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 8