REMARK Name = BDB051787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.236 0.502 -1.559 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.134 0.731 -1.503 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.762 1.422 -2.632 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -2.268 1.151 -2.731 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.991 1.416 -1.479 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -4.382 1.568 -1.552 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -4.945 1.450 -2.651 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -2.183 1.436 -0.257 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.984 0.478 -0.333 0.00 0.00 +0.127 C ATOM 10 O LIG 1 1.954 0.939 -2.457 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.693 -0.388 1.155 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.000 0.320 0.161 0.00 0.00 +0.020 A ATOM 13 C LIG 1 1.897 -0.258 -0.481 0.00 0.00 +0.072 A ATOM 14 C LIG 1 1.500 -1.550 -0.151 0.00 0.00 +0.135 A ATOM 15 F LIG 1 0.479 -2.144 -0.785 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.163 -2.255 0.848 0.00 0.00 +0.039 A ATOM 17 C LIG 1 3.250 -1.674 1.505 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 4.880 0.239 1.851 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 6.542 0.049 -0.633 0.00 0.00 +0.046 C ATOM 20 C LIG 1 6.941 -0.760 0.565 0.00 0.00 -0.019 A ATOM 21 C LIG 1 7.997 -1.597 0.610 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.923 -1.927 -0.525 0.00 0.00 +0.050 C ATOM 23 C LIG 1 8.325 -2.305 1.881 0.00 0.00 +0.268 A ATOM 24 O LIG 1 9.287 -3.061 1.973 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 7.500 -2.060 2.943 0.00 0.00 -0.243 N ATOM 26 H LIG 1 7.714 -2.535 3.813 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 6.411 -1.254 2.937 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 6.132 -0.637 1.827 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -5.206 1.856 -0.229 0.00 0.00 +0.096 C ATOM 30 C LIG 1 -6.592 2.576 -0.394 0.00 0.00 +0.032 C ATOM 31 C LIG 1 -5.870 3.897 -0.083 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.820 3.068 0.678 0.00 0.00 +0.032 C BRANCH 29 33 ATOM 33 N LIG 1 -5.434 0.683 0.656 0.00 0.00 -0.303 NA ATOM 34 H LIG 1 -4.596 0.319 1.100 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -6.061 -0.415 -0.085 0.00 0.00 +0.085 C BRANCH 35 36 ATOM 36 C LIG 1 -6.353 -1.496 0.912 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -6.439 -2.934 0.469 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -5.285 -2.481 1.322 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 6 29 TORSDOF 7