REMARK Name = BDB001147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.476 -1.465 -1.269 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.620 -2.223 -2.046 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.170 -2.283 -1.874 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.285 -3.337 -2.897 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.538 -2.761 -3.533 0.00 0.00 +0.007 C ATOM 6 C LIG 1 1.276 -1.267 -3.587 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.902 -3.517 -3.861 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.539 -0.946 -2.275 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -1.954 -2.509 -3.424 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -3.468 -0.911 -1.750 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.429 -0.457 -1.223 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.088 -0.572 -0.267 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 2.086 0.755 -1.388 0.00 0.00 +0.244 C ATOM 14 O LIG 1 2.082 1.395 -2.433 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 2.768 1.304 -0.183 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.950 2.691 -0.093 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.556 3.264 1.036 0.00 0.00 -0.017 A ATOM 18 C LIG 1 4.002 2.427 2.084 0.00 0.00 -0.018 A ATOM 19 C LIG 1 4.604 3.004 3.214 0.00 0.00 +0.008 A ATOM 20 C LIG 1 4.762 4.388 3.309 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.322 5.211 2.277 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.834 1.038 1.975 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.723 4.654 1.147 0.00 0.00 +0.008 A ATOM 24 C LIG 1 3.225 0.478 0.849 0.00 0.00 +0.013 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 25 ATOM 25 C LIG 1 -2.181 -1.373 0.249 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 -1.152 0.774 0.913 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.277 0.043 0.599 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -3.089 0.534 0.238 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -0.050 0.246 1.064 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -1.393 2.293 1.038 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -1.389 2.906 -0.360 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -0.468 2.626 3.265 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -0.343 2.941 1.848 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 0.568 2.602 1.523 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -3.123 -2.270 1.112 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -2.705 -2.160 2.595 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -4.606 -1.869 1.000 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -2.979 -3.746 0.690 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7