REMARK Name = BDB026315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.163 -1.243 -0.439 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.177 -0.282 -0.100 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.184 -0.606 -0.163 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.625 -1.880 -0.575 0.00 0.00 +0.038 A ATOM 5 C LIG 1 0.633 -2.803 -0.927 0.00 0.00 +0.134 A ATOM 6 F LIG 1 0.964 -4.032 -1.355 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.729 -2.500 -0.860 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.337 -2.638 2.556 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.772 -2.524 1.131 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.817 -2.733 0.081 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.441 -4.056 0.206 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.215 -2.544 -1.274 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.276 -2.586 -2.387 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.437 -1.202 -1.433 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.518 -0.891 -0.326 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.102 -1.127 1.009 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.070 -2.187 -0.639 0.00 0.00 +0.079 A ATOM 18 N LIG 1 3.872 -1.119 -0.851 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.203 -1.287 -0.904 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.774 -2.492 -0.769 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 4.965 -3.543 -0.558 0.00 0.00 +0.116 A ATOM 22 C LIG 1 3.599 -3.448 -0.477 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 5.997 -0.177 -1.129 0.00 0.00 -0.295 N ATOM 24 C LIG 1 5.353 1.125 -0.911 0.00 0.00 +0.136 C ATOM 25 C LIG 1 6.387 2.248 -1.085 0.00 0.00 +0.179 C ATOM 26 O LIG 1 7.498 2.158 -0.177 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 7.777 0.816 0.252 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.423 -0.254 -0.794 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.659 0.998 0.257 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.675 1.049 0.224 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.061 2.135 0.528 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.279 2.268 0.544 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.809 3.330 0.734 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -1.679 3.525 1.882 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -2.406 4.655 1.963 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -2.339 5.700 0.904 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -3.035 6.703 1.021 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -1.469 5.439 -0.149 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -1.323 6.420 -1.214 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -0.720 4.275 -0.215 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -1.726 2.490 2.962 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -0.487 2.086 3.337 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.385 1.382 2.531 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6