REMARK Name = BDB026290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.919 -0.049 -1.017 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.614 0.916 -0.026 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.711 1.287 0.223 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.773 0.722 -0.508 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.449 -0.228 -1.489 0.00 0.00 +0.134 A ATOM 6 F LIG 1 2.410 -0.787 -2.242 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.132 -0.614 -1.741 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.442 -3.276 0.189 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.105 -2.006 -0.598 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.633 -2.026 -1.992 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.212 -3.194 -2.766 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.238 -0.768 -2.673 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.727 -0.439 -2.609 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.278 -0.416 -1.198 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.583 -1.691 -0.494 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.168 1.107 -0.243 0.00 0.00 +0.079 A ATOM 17 N LIG 1 4.054 0.092 -0.175 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 5.345 0.369 0.063 0.00 0.00 +0.218 A ATOM 19 N LIG 1 5.785 1.623 0.255 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 4.885 2.618 0.192 0.00 0.00 +0.116 A ATOM 21 C LIG 1 3.553 2.418 -0.058 0.00 0.00 +0.048 A BRANCH 18 22 ATOM 22 N LIG 1 6.250 -0.673 0.144 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.669 -0.311 0.104 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.527 -1.585 0.090 0.00 0.00 +0.179 C ATOM 25 O LIG 1 8.274 -2.435 -1.042 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 6.930 -2.333 -1.542 0.00 0.00 +0.179 C ATOM 27 C LIG 1 5.894 -1.958 -0.470 0.00 0.00 +0.136 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.726 1.456 0.652 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.603 1.051 0.326 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.745 2.381 1.663 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.787 2.917 2.206 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.126 2.697 2.137 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.518 2.509 3.531 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.763 2.846 3.920 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -5.732 3.408 2.946 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.866 3.722 3.283 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.271 3.550 1.660 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.932 3.944 1.000 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.001 3.214 1.258 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.514 1.913 4.475 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.156 0.667 4.061 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -3.043 1.745 5.720 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6