REMARK Name = BDB042127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.503 2.072 0.623 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 -1.493 3.107 0.916 0.00 0.00 +0.090 C ATOM 3 C LIG 1 -2.462 3.073 -0.272 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -1.674 2.386 -1.404 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.452 1.097 -1.698 0.00 0.00 +0.090 C ATOM 6 N LIG 1 -3.231 0.872 -0.488 0.00 0.00 -0.291 NA ATOM 7 C LIG 1 -3.691 2.185 -0.064 0.00 0.00 +0.090 C ATOM 8 C LIG 1 -0.278 2.164 -0.820 0.00 0.00 +0.090 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.711 2.201 1.424 0.00 0.00 +0.119 C BRANCH 9 16 ATOM 10 N LIG 1 5.511 -1.368 0.296 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.422 -2.106 0.737 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.369 -3.302 0.946 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.328 -1.154 0.959 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.808 0.128 0.700 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.981 1.230 0.843 0.00 0.00 +0.010 A ATOM 16 C LIG 1 1.652 1.022 1.254 0.00 0.00 -0.033 A ATOM 17 C LIG 1 1.192 -0.292 1.519 0.00 0.00 +0.005 A ATOM 18 C LIG 1 2.034 -1.397 1.373 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.241 0.065 0.283 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.977 -1.989 0.385 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.752 -2.036 0.312 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.091 -1.525 -0.775 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.676 -1.071 -1.463 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.742 -1.270 -0.885 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.327 -0.563 -1.800 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.844 -1.948 0.164 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.563 -1.965 1.515 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.899 -2.677 1.379 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 9 16 ENDBRANCH 1 9 BRANCH 6 29 ATOM 29 C LIG 1 -4.200 -0.234 -0.536 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.488 -0.851 0.850 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -3.678 -0.578 1.967 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.918 -1.182 3.205 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.958 -2.096 3.346 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.753 -2.410 2.248 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.514 -1.802 1.012 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.452 0.069 -1.371 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -6.549 0.769 -0.836 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.680 1.031 -1.613 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.733 0.595 -2.935 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.655 -0.096 -3.483 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.523 -0.358 -2.708 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 6 29 TORSDOF 6