REMARK Name = BDB035762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.590 -0.713 -1.381 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.041 -0.507 -0.149 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.415 -0.291 0.958 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.487 -0.607 -0.385 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.523 -0.468 0.520 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.835 -0.618 0.048 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.056 -0.884 -1.325 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.989 -1.019 -2.235 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.699 -0.876 -1.731 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.384 -0.961 -2.436 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.330 -0.454 -0.825 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.927 -0.460 -0.613 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.991 -0.708 -1.630 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.485 -0.954 -2.917 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.856 -0.959 -3.170 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.760 -0.715 -2.138 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.822 -1.071 1.709 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.846 -0.593 0.239 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.347 -0.167 0.387 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.290 -1.200 1.567 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.225 1.343 0.883 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.274 2.486 0.132 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.442 2.612 -1.288 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.154 3.519 1.010 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.057 3.050 2.231 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.101 1.679 2.152 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.481 -2.774 3.299 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.550 -2.292 1.964 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.222 -1.302 -3.694 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.709 -0.328 -4.495 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.535 -1.415 -4.030 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.628 -2.460 -4.095 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.003 -0.452 0.994 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.356 0.957 1.112 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 5.617 1.334 0.203 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.414 1.210 2.091 0.00 0.00 +0.084 C BRANCH 36 37 ATOM 37 C LIG 1 7.784 0.745 1.612 0.00 0.00 +0.003 C ATOM 38 C LIG 1 8.992 1.258 2.442 0.00 0.00 +0.005 C ATOM 39 C LIG 1 9.775 1.340 1.116 0.00 0.00 +0.001 C ATOM 40 C LIG 1 8.415 1.495 0.406 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9