REMARK Name = BDB008261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.224 -0.140 -0.267 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.767 0.961 0.344 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.388 0.891 1.032 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.105 -0.291 1.157 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.623 -1.447 0.543 0.00 0.00 -0.011 A ATOM 6 C LIG 1 0.562 -1.358 -0.189 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.352 -2.724 0.673 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -2.409 -3.056 -0.233 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.112 -4.274 -0.078 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -4.122 -4.649 -0.886 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -4.481 -3.822 -1.900 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -3.865 -2.612 -2.146 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.760 -5.128 0.955 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.728 -4.824 1.843 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.826 -2.228 -1.307 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.025 -3.621 1.722 0.00 0.00 -0.042 A ATOM 17 C LIG 1 0.074 -3.322 2.712 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 3.209 0.976 -1.282 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.398 -0.119 -1.022 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.650 -0.948 -1.540 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 3.024 2.142 -0.953 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.464 0.530 -2.083 0.00 0.00 +0.137 C ATOM 23 C LIG 1 5.298 1.741 -2.514 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.075 -0.927 -3.963 0.00 0.00 +0.101 C ATOM 25 N LIG 1 3.989 -0.310 -3.217 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 3.457 0.304 -3.834 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -0.955 2.019 1.633 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -1.872 1.931 2.057 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -0.444 3.298 1.639 0.00 0.00 +0.268 C ATOM 30 O LIG 1 0.649 3.683 1.256 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -1.423 4.295 2.188 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -2.599 3.780 2.668 0.00 0.00 -0.248 NA ATOM 33 C LIG 1 -3.502 4.690 3.113 0.00 0.00 +0.149 A ATOM 34 C LIG 1 -3.301 6.062 3.074 0.00 0.00 +0.141 A ATOM 35 F LIG 1 -4.234 6.907 3.536 0.00 0.00 -0.204 F ATOM 36 C LIG 1 -2.097 6.559 2.593 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -1.133 5.660 2.137 0.00 0.00 +0.036 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6