REMARK Name = BDB053764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.562 -2.473 -1.012 0.00 0.00 +0.140 A ATOM 2 C LIG 1 2.549 -1.179 -0.495 0.00 0.00 +0.075 A ATOM 3 C LIG 1 1.346 -0.700 0.053 0.00 0.00 +0.080 A ATOM 4 C LIG 1 0.231 -1.535 0.102 0.00 0.00 +0.105 A ATOM 5 C LIG 1 -0.817 -0.844 0.752 0.00 0.00 +0.125 A ATOM 6 C LIG 1 -0.346 0.424 1.059 0.00 0.00 +0.221 A ATOM 7 N LIG 1 0.226 -2.796 -0.401 0.00 0.00 -0.249 NA ATOM 8 N LIG 1 1.005 0.485 0.706 0.00 0.00 -0.278 N ATOM 9 C LIG 1 1.392 -3.213 -0.941 0.00 0.00 +0.157 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.144 -1.324 1.093 0.00 0.00 +0.254 C ATOM 11 N LIG 1 -2.946 -1.852 0.085 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -2.732 -1.715 -1.355 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -2.997 -3.045 -2.089 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -4.136 -3.848 -1.585 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -3.741 -4.595 -1.009 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -5.003 -3.040 -0.710 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.239 -2.414 0.473 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -2.543 -1.262 2.256 0.00 0.00 -0.270 OA ENDBRANCH 5 10 BRANCH 8 19 ATOM 19 C LIG 1 1.917 1.534 1.013 0.00 0.00 +0.050 A ATOM 20 C LIG 1 2.809 2.007 0.043 0.00 0.00 +0.026 A ATOM 21 C LIG 1 3.703 3.031 0.363 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.712 3.578 1.645 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.827 3.104 2.613 0.00 0.00 +0.002 A ATOM 24 C LIG 1 1.930 2.082 2.300 0.00 0.00 +0.026 A ENDBRANCH 8 19 BRANCH 1 25 ATOM 25 O LIG 1 3.757 -2.873 -1.538 0.00 0.00 -0.491 OA BRANCH 25 27 ATOM 26 C LIG 1 5.260 -4.461 -2.488 0.00 0.00 +0.048 C ATOM 27 C LIG 1 3.843 -4.222 -1.998 0.00 0.00 +0.226 C ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 6 28 ATOM 28 O LIG 1 -1.047 1.428 1.604 0.00 0.00 -0.438 OA BRANCH 28 29 ATOM 29 C LIG 1 -1.082 2.714 1.099 0.00 0.00 +0.136 A ATOM 30 C LIG 1 -1.117 3.038 -0.272 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -1.217 2.021 -1.372 0.00 0.00 +0.047 C ATOM 32 C LIG 1 -1.076 4.394 -0.646 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -1.065 5.405 0.311 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -1.121 5.080 1.661 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -1.158 3.739 2.069 0.00 0.00 -0.008 A ATOM 36 C LIG 1 -1.236 3.438 3.541 0.00 0.00 +0.047 C ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 6