REMARK Name = BDB026180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.034 -0.437 0.389 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.399 -1.552 0.952 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.110 -2.651 1.252 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.030 -1.572 1.226 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.771 -0.468 0.937 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.138 0.682 0.393 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.235 0.686 0.114 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.163 -0.443 1.140 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.966 -0.652 -0.087 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.308 -2.148 -0.327 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.116 -2.231 -1.633 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.036 -2.739 0.838 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.366 -4.150 0.602 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.214 -2.575 2.076 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.972 -3.024 3.337 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.742 -1.108 2.322 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 6.267 -0.406 -0.462 0.00 0.00 +0.072 A ATOM 18 C LIG 1 5.460 -1.467 -0.872 0.00 0.00 +0.136 A ATOM 19 F LIG 1 5.974 -2.511 -1.541 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.091 -1.481 -0.598 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.480 -0.428 0.100 0.00 0.00 -0.012 A ATOM 22 C LIG 1 4.297 0.639 0.512 0.00 0.00 +0.009 A ATOM 23 C LIG 1 5.671 0.651 0.237 0.00 0.00 +0.016 A BRANCH 17 27 ATOM 24 C LIG 1 9.712 -1.429 -1.698 0.00 0.00 +0.128 C ATOM 25 N LIG 1 8.292 -1.363 -1.464 0.00 0.00 -0.314 N ATOM 26 H LIG 1 7.723 -2.163 -1.720 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 7.732 -0.343 -0.726 0.00 0.00 +0.247 C ATOM 28 O LIG 1 8.391 0.595 -0.286 0.00 0.00 -0.270 OA ENDBRANCH 17 27 ENDBRANCH 1 21 BRANCH 6 29 ATOM 29 N LIG 1 -0.967 1.810 0.210 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.915 1.649 0.543 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.661 3.011 -0.377 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.388 3.340 -0.916 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.812 3.961 -0.378 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -2.387 4.463 -1.622 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -3.403 5.346 -1.572 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -3.934 5.812 -0.266 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.857 6.614 -0.203 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.327 5.285 0.847 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.684 5.615 1.737 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.288 4.388 0.803 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.832 3.942 -2.916 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -1.996 2.593 -2.993 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.506 4.453 -3.986 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6