REMARK Name = BDB014410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.573 0.916 -3.613 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 -0.907 0.893 -2.426 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -2.050 1.562 -2.084 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -2.500 1.986 -2.888 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.699 1.680 -0.785 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 -3.525 0.440 -0.407 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 -2.653 -0.605 0.048 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 -3.234 -1.196 0.572 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -4.519 0.767 0.731 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 -5.173 -0.460 1.243 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -6.223 -0.971 0.336 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -7.510 -0.173 0.335 0.00 0.00 -0.030 A ATOM 13 C LIG 1 -7.865 0.625 1.438 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -9.079 1.325 1.428 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -9.945 1.217 0.341 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -9.605 0.413 -0.745 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.916 0.781 2.600 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -8.396 -0.283 -0.747 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.772 -0.244 2.575 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 -0.111 0.155 -1.349 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 1.261 0.079 -1.723 0.00 0.00 -0.482 OA BRANCH 21 22 ATOM 22 C LIG 1 2.118 -0.573 -0.871 0.00 0.00 +0.126 A ATOM 23 C LIG 1 3.479 -0.592 -1.262 0.00 0.00 +0.015 A ATOM 24 C LIG 1 3.866 0.081 -2.563 0.00 0.00 +0.042 C ATOM 25 C LIG 1 5.235 -0.359 -3.050 0.00 0.00 +0.024 C ATOM 26 C LIG 1 6.216 -0.271 -1.899 0.00 0.00 +0.106 C ATOM 27 N LIG 1 5.814 -1.179 -0.821 0.00 0.00 -0.325 N ATOM 28 C LIG 1 4.472 -1.192 -0.444 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.027 -1.808 0.737 0.00 0.00 +0.023 A ATOM 30 C LIG 1 2.682 -1.812 1.113 0.00 0.00 +0.005 A ATOM 31 C LIG 1 1.729 -1.191 0.314 0.00 0.00 +0.046 A BRANCH 27 32 ATOM 32 C LIG 1 6.902 -1.754 -0.022 0.00 0.00 +0.140 C BRANCH 32 33 ATOM 33 C LIG 1 7.659 -0.728 0.799 0.00 0.00 -0.030 A ATOM 34 C LIG 1 6.997 0.235 1.576 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.718 1.149 2.349 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.110 1.107 2.363 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.782 0.150 1.607 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.062 -0.763 0.834 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 10