REMARK Name = BDB024993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.261 -1.075 1.524 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.064 -1.645 1.059 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.921 -3.107 1.231 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.848 -3.873 0.272 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.496 -3.650 1.039 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.470 -2.672 1.567 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.640 -1.391 0.801 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.538 -0.652 0.325 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.203 -0.932 0.434 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.439 0.036 -0.188 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.454 0.978 -0.671 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.732 0.532 -0.372 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -3.011 1.027 -0.642 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.102 0.289 -0.164 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.942 -0.897 0.567 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.210 -1.738 1.937 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.169 2.220 -1.388 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.791 3.185 -0.662 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.074 3.466 -1.451 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.799 3.949 -2.878 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.589 3.284 -3.538 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.192 1.976 -2.861 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 2.970 4.441 -0.723 0.00 0.00 +0.308 C ATOM 24 O LIG 1 4.148 4.261 -0.461 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.360 5.591 -0.387 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.062 6.113 0.059 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.481 0.871 2.032 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.274 0.288 1.538 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.929 0.103 -0.330 0.00 0.00 +0.075 C BRANCH 29 30 ATOM 30 C LIG 1 2.619 -1.213 0.052 0.00 0.00 +0.011 C BRANCH 30 31 ATOM 31 C LIG 1 4.145 -1.183 -0.181 0.00 0.00 -0.011 C ATOM 32 C LIG 1 4.824 -0.079 0.655 0.00 0.00 +0.003 C ATOM 33 C LIG 1 6.292 -0.388 0.922 0.00 0.00 +0.000 C ATOM 34 C LIG 1 6.461 -1.680 1.722 0.00 0.00 +0.000 C ATOM 35 C LIG 1 5.345 -2.697 1.478 0.00 0.00 +0.000 C ATOM 36 C LIG 1 4.766 -2.572 0.074 0.00 0.00 +0.003 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7