REMARK Name = BDB035034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.909 -0.285 0.551 0.00 0.00 +0.046 A ATOM 2 N LIG 1 -0.238 -0.264 1.370 0.00 0.00 -0.281 N ATOM 3 C LIG 1 -0.213 -0.487 2.773 0.00 0.00 +0.229 C ATOM 4 O LIG 1 0.794 -0.947 3.302 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -1.438 -0.146 3.556 0.00 0.00 +0.113 C ATOM 6 C LIG 1 -1.345 0.001 0.544 0.00 0.00 +0.075 A ATOM 7 C LIG 1 -0.868 0.189 -0.751 0.00 0.00 +0.092 A ATOM 8 N LIG 1 -1.646 0.470 -1.818 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -2.960 0.564 -1.604 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -3.551 0.376 -0.352 0.00 0.00 -0.009 A ATOM 11 C LIG 1 -5.038 0.477 -0.157 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -2.732 0.081 0.751 0.00 0.00 +0.035 A ATOM 13 C LIG 1 0.520 0.020 -0.740 0.00 0.00 +0.053 A ENDROOT BRANCH 9 14 ATOM 14 N LIG 1 -3.745 0.863 -2.727 0.00 0.00 -0.343 N ATOM 15 H LIG 1 -4.246 1.732 -2.571 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -4.419 0.122 -2.882 0.00 0.00 +0.144 HD ENDBRANCH 9 14 BRANCH 1 17 ATOM 17 C LIG 1 2.289 -0.540 1.095 0.00 0.00 +0.161 C BRANCH 17 20 ATOM 18 C LIG 1 5.042 0.810 -1.180 0.00 0.00 +0.109 C ATOM 19 C LIG 1 3.966 0.760 -0.125 0.00 0.00 +0.213 C ATOM 20 N LIG 1 3.292 -0.442 0.037 0.00 0.00 -0.299 N ATOM 21 C LIG 1 3.588 -1.665 -0.698 0.00 0.00 +0.132 C ATOM 22 O LIG 1 3.718 1.763 0.545 0.00 0.00 -0.276 OA ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3