REMARK Name = BDB007616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.384 0.418 -2.193 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -2.101 -0.548 -2.865 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.766 -1.502 -2.898 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.813 1.547 -1.987 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 2.482 -0.671 -0.598 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.964 -1.324 -1.728 0.00 0.00 +0.023 A ATOM 7 C LIG 1 0.720 -0.981 -2.272 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -0.052 0.013 -1.668 0.00 0.00 +0.037 A ATOM 9 C LIG 1 0.439 0.660 -0.531 0.00 0.00 +0.015 A ATOM 10 C LIG 1 1.683 0.305 0.006 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 3.696 -1.120 -0.076 0.00 0.00 -0.341 N ATOM 12 H LIG 1 4.279 -1.548 -0.793 0.00 0.00 +0.146 HD BRANCH 11 16 ATOM 13 N LIG 1 7.445 0.162 0.606 0.00 0.00 -0.300 NA ATOM 14 C LIG 1 6.867 -1.184 0.771 0.00 0.00 +0.086 C ATOM 15 C LIG 1 5.541 -1.212 1.529 0.00 0.00 +0.037 C ATOM 16 C LIG 1 4.481 -0.317 0.872 0.00 0.00 +0.073 C ATOM 17 C LIG 1 5.117 0.885 0.167 0.00 0.00 +0.037 C ATOM 18 C LIG 1 6.465 1.240 0.788 0.00 0.00 +0.086 C BRANCH 13 20 ATOM 19 C LIG 1 9.217 1.804 1.365 0.00 0.00 +0.024 C ATOM 20 C LIG 1 8.715 0.350 1.341 0.00 0.00 +0.050 C ATOM 21 C LIG 1 9.827 -0.507 0.710 0.00 0.00 +0.024 C ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 22 ATOM 22 C LIG 1 -3.420 -0.290 -3.428 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -4.572 -0.548 -2.438 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -4.359 -1.835 -1.832 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.566 -1.739 -1.275 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.700 0.562 -1.364 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -6.016 0.622 -0.684 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.343 -0.637 0.015 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.549 -0.547 0.931 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.053 0.694 1.355 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -9.156 0.743 2.218 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.740 -0.436 2.681 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.232 -1.669 2.280 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.444 1.966 0.827 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.142 -1.725 1.411 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.034 1.745 0.268 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9