REMARK Name = BDB035642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.687 -1.440 0.357 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.027 -0.432 -0.353 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.450 0.518 -0.984 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.413 -0.692 -0.230 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.468 0.034 -0.751 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.768 -0.419 -0.490 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.957 -1.585 0.292 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.870 -2.314 0.814 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.593 -1.839 0.533 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.261 -2.380 0.942 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.405 -0.814 0.104 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.003 -0.671 -0.037 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.094 -1.589 0.512 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.619 -2.672 1.229 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.997 -2.833 1.387 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.882 -1.913 0.830 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.338 0.236 -0.522 0.00 0.00 +0.055 C ATOM 18 C LIG 1 6.845 -0.132 -0.526 0.00 0.00 +0.019 C ATOM 19 C LIG 1 7.461 0.708 -1.640 0.00 0.00 +0.001 C ATOM 20 C LIG 1 6.370 0.833 -2.696 0.00 0.00 +0.001 C ATOM 21 C LIG 1 5.087 0.296 -2.056 0.00 0.00 +0.019 C BRANCH 17 24 ATOM 22 C LIG 1 5.237 1.021 2.582 0.00 0.00 +0.151 C ATOM 23 N LIG 1 5.117 1.906 1.455 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.149 1.612 0.111 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.021 2.751 -0.550 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 4.897 3.777 0.350 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 4.949 3.255 1.549 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.073 -3.546 1.652 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.372 -3.927 1.776 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.411 -4.625 1.146 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.600 -3.388 2.919 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.969 0.338 -1.019 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -5.670 0.989 0.083 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -5.030 1.663 0.506 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -7.007 1.539 -0.187 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -8.026 0.393 -0.417 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -8.618 1.243 -1.565 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -7.263 1.985 -1.649 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.402 2.542 0.891 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7