REMARK Name = BDB057487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.391 -0.554 3.409 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -0.855 1.067 1.038 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.749 1.367 2.398 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.295 0.848 3.169 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.252 0.011 2.585 0.00 0.00 -0.045 A ATOM 6 C LIG 1 1.145 -0.285 1.221 0.00 0.00 +0.007 A ATOM 7 C LIG 1 0.100 0.239 0.452 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -1.929 1.637 0.417 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 -2.132 1.404 -0.980 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 -2.848 0.079 -1.245 0.00 0.00 +0.098 C BRANCH 10 15 ATOM 11 C LIG 1 -7.209 -0.134 1.362 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -6.187 0.054 0.304 0.00 0.00 +0.042 A ATOM 13 N LIG 1 -6.419 0.286 -1.052 0.00 0.00 -0.237 N ATOM 14 N LIG 1 -5.244 0.249 -1.749 0.00 0.00 -0.171 NA ATOM 15 C LIG 1 -4.284 0.114 -0.835 0.00 0.00 +0.067 A ATOM 16 C LIG 1 -4.816 -0.011 0.457 0.00 0.00 +0.048 A BRANCH 13 17 ATOM 17 C LIG 1 -7.631 0.538 -1.773 0.00 0.00 +0.066 A ATOM 18 C LIG 1 -7.601 0.491 -3.180 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -8.755 0.727 -3.932 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -9.953 1.024 -3.292 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.994 1.092 -1.901 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -8.840 0.855 -1.144 0.00 0.00 +0.028 A ENDBRANCH 13 17 ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 3.709 0.228 3.249 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 4.720 0.016 4.383 0.00 0.00 +0.326 C ATOM 25 O LIG 1 5.739 0.667 4.568 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 4.431 -1.000 5.224 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 5.194 -0.997 5.843 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 4.316 0.061 1.908 0.00 0.00 -0.331 N ATOM 29 H LIG 1 4.762 0.941 1.605 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 5.103 -1.017 1.493 0.00 0.00 +0.039 A ATOM 31 C LIG 1 5.845 -0.919 0.289 0.00 0.00 +0.043 A ATOM 32 C LIG 1 6.617 -1.989 -0.192 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.618 -3.203 0.486 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.851 -3.343 1.637 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.097 -2.266 2.125 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 5.844 0.354 -0.479 0.00 0.00 +0.195 C ATOM 37 O LIG 1 6.038 1.412 0.115 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 5.597 0.364 -1.946 0.00 0.00 +0.022 A ATOM 39 C LIG 1 6.125 1.416 -2.704 0.00 0.00 +0.012 A ATOM 40 C LIG 1 5.907 1.466 -4.082 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.152 0.472 -4.704 0.00 0.00 +0.000 A ATOM 42 C LIG 1 4.608 -0.568 -3.951 0.00 0.00 +0.001 A ATOM 43 C LIG 1 4.824 -0.622 -2.572 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13