REMARK Name = BDB010656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 1.447 0.413 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.661 0.398 -0.303 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.294 -0.759 0.101 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.147 -0.336 1.109 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.940 -1.148 1.825 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -2.822 -2.434 1.475 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.033 -2.947 0.507 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.257 -2.111 -0.218 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.094 1.012 1.282 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -0.726 4.474 -1.587 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -1.587 3.383 -0.944 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -0.842 2.742 0.192 0.00 0.00 -0.291 N ATOM 13 C LIG 1 -0.816 3.650 1.392 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -0.105 3.044 2.602 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -2.224 4.169 1.749 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -2.819 4.844 0.627 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -2.953 3.936 -0.475 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -3.645 -3.405 2.226 0.00 0.00 +0.287 A ATOM 19 O LIG 1 -4.446 -2.884 3.192 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 -5.077 -3.967 3.715 0.00 0.00 +0.436 A ATOM 21 O LIG 1 -5.895 -3.953 4.618 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 -4.612 -5.054 3.029 0.00 0.00 -0.208 N ATOM 23 H LIG 1 -4.894 -6.012 3.185 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 -3.703 -4.698 2.084 0.00 0.00 -0.127 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -0.461 -2.725 -1.272 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -0.771 -2.525 -2.626 0.00 0.00 +0.030 A ATOM 27 C LIG 1 0.002 -3.121 -3.624 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 -0.378 -2.835 -5.277 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 1.080 -3.938 -3.293 0.00 0.00 +0.020 A ATOM 30 C LIG 1 1.384 -4.169 -1.953 0.00 0.00 +0.002 A ATOM 31 C LIG 1 0.614 -3.572 -0.952 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.417 0.515 -1.270 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.779 0.021 -0.751 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.366 0.959 0.320 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.897 0.997 0.342 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.554 -0.328 -0.055 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.347 -1.401 1.018 0.00 0.00 +0.007 C ATOM 38 C LIG 1 4.073 -0.807 -1.438 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.766 -0.162 -1.907 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5