REMARK Name = BDB008265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.029 -0.341 -0.224 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.763 -0.781 -0.176 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.215 0.073 0.181 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.033 1.393 0.512 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.350 1.859 0.465 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.362 0.969 0.087 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.672 3.259 0.800 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.697 4.266 -0.219 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.038 5.597 0.112 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.092 6.592 -0.791 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -1.792 6.308 -2.075 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -1.439 5.051 -2.515 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.333 5.903 1.428 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.303 4.939 2.435 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.394 4.025 -1.578 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.975 3.614 2.137 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.948 2.604 3.255 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.919 -2.535 -0.947 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -3.071 -1.205 -0.590 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.997 -0.805 -0.620 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.851 -3.138 -1.051 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.273 -3.224 -1.289 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -5.284 -3.135 -0.145 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -3.798 -5.581 -0.715 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.056 -4.610 -1.774 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.220 -4.583 -2.368 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.473 -0.526 0.179 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.420 -1.484 -0.144 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.693 0.044 0.472 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.880 1.216 0.779 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.857 -0.899 0.386 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.983 -0.398 -0.181 0.00 0.00 -0.242 NA ATOM 33 C LIG 1 6.053 -1.202 -0.280 0.00 0.00 +0.072 A ATOM 34 C LIG 1 6.043 -2.537 0.179 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.190 -3.340 0.049 0.00 0.00 +0.010 A ATOM 36 C LIG 1 8.346 -2.825 -0.533 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.361 -1.511 -0.987 0.00 0.00 +0.002 A ATOM 38 C LIG 1 4.867 -3.024 0.764 0.00 0.00 +0.012 A ATOM 39 C LIG 1 7.219 -0.716 -0.856 0.00 0.00 +0.028 A ATOM 40 C LIG 1 3.755 -2.196 0.874 0.00 0.00 +0.033 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6