REMARK Name = BDB017477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.501 -1.484 1.025 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -5.016 -2.712 0.536 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.649 -2.833 0.259 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.739 -1.803 0.455 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.478 -2.341 0.049 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.604 -3.611 -0.367 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -3.212 -0.580 0.963 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.910 -3.877 -0.220 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.240 -4.802 -0.471 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -4.580 -0.444 1.244 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -9.455 0.163 2.360 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -8.833 0.538 1.381 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -7.833 -0.292 0.609 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.966 -1.292 1.347 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -8.041 -1.763 0.388 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -7.384 0.616 -0.501 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -8.053 1.842 -0.346 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -7.882 2.916 -1.194 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -6.997 2.752 -2.259 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -6.320 1.534 -2.447 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.515 0.459 -1.570 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -8.894 1.776 0.767 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -9.497 2.517 1.091 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.236 -1.623 0.079 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.948 -2.124 -0.313 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.209 -1.373 -0.287 0.00 0.00 -0.025 A ATOM 27 C LIG 1 2.562 -0.543 0.784 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.784 0.136 0.785 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.678 -0.008 -0.282 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.336 -0.855 -1.343 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.114 -1.534 -1.343 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.009 0.711 -0.270 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C LIG 1 7.115 -0.167 0.339 0.00 0.00 +0.091 C BRANCH 33 34 ATOM 34 N LIG 1 8.453 0.410 0.517 0.00 0.00 -0.280 NA ATOM 35 C LIG 1 8.500 1.523 1.453 0.00 0.00 +0.247 C ATOM 36 O LIG 1 8.118 2.762 0.865 0.00 0.00 -0.364 OA ATOM 37 C LIG 1 9.014 3.129 -0.179 0.00 0.00 +0.163 C ATOM 38 C LIG 1 8.967 2.090 -1.283 0.00 0.00 +0.043 C ATOM 39 C LIG 1 9.190 0.692 -0.710 0.00 0.00 +0.089 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 6