REMARK Name = BDB049144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.595 -0.107 -1.459 0.00 0.00 +0.158 C ENDROOT BRANCH 1 3 ATOM 2 CA LIG 1 -0.818 -2.347 -2.505 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.265 -1.603 -1.405 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -1.364 -2.540 -0.301 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -0.893 -3.774 -0.753 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.822 -4.917 0.056 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.255 -4.803 1.377 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.741 -3.600 1.870 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -1.186 -6.179 2.409 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -1.800 -2.470 1.044 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -0.545 -3.619 -2.066 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -0.179 -4.348 -2.665 0.00 0.00 +0.166 HD BRANCH 2 14 ATOM 13 O LIG 1 -1.000 -0.917 -4.414 0.00 0.00 -0.243 OA ATOM 14 C LIG 1 -0.646 -1.952 -3.878 0.00 0.00 +0.354 C BRANCH 14 15 ATOM 15 OXT LIG 1 -0.028 -2.921 -4.585 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 0.038 -2.521 -5.479 0.00 0.00 +0.295 HD ENDBRANCH 14 15 ENDBRANCH 2 14 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 -0.403 0.762 -1.744 0.00 0.00 +0.178 A ATOM 18 N LIG 1 0.892 0.644 -1.257 0.00 0.00 -0.195 N ATOM 19 N LIG 1 1.703 1.357 -2.083 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 0.907 2.043 -2.882 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -0.395 1.699 -2.681 0.00 0.00 -0.111 NA BRANCH 18 22 ATOM 22 C LIG 1 1.449 0.012 -0.119 0.00 0.00 +0.073 A ATOM 23 C LIG 1 2.808 -0.347 -0.136 0.00 0.00 +0.074 A ATOM 24 C LIG 1 3.387 -0.945 0.987 0.00 0.00 +0.130 A ATOM 25 C LIG 1 2.619 -1.203 2.120 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.281 -0.814 2.153 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.700 -0.199 1.040 0.00 0.00 +0.028 A BRANCH 24 28 ATOM 28 O LIG 1 4.695 -1.371 1.012 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 5.657 -0.499 0.553 0.00 0.00 +0.128 A ATOM 30 C LIG 1 5.707 0.844 0.936 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.730 1.663 0.456 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.708 1.137 -0.388 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.670 -0.210 -0.749 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.648 -1.031 -0.272 0.00 0.00 +0.046 A ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 18 22 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 N LIG 1 -2.404 0.301 -0.292 0.00 0.00 -0.300 NA ATOM 36 H LIG 1 -3.180 -0.363 -0.267 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -2.978 1.663 -0.415 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -4.457 1.595 0.020 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -5.103 2.946 0.325 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -4.937 3.353 1.789 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -3.527 3.763 2.201 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -2.426 2.754 1.873 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -2.134 2.679 0.375 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 9