REMARK Name = BDB011750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.737 1.579 0.569 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.698 1.707 1.087 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.173 2.860 1.071 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.496 0.629 1.460 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.078 -0.691 1.918 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.083 -1.394 1.516 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.269 -2.740 1.915 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.633 -3.394 2.745 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.728 -2.701 3.216 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.153 -0.797 0.796 0.00 0.00 -0.267 N ATOM 11 C LIG 1 1.772 -1.468 -0.270 0.00 0.00 +0.220 C ATOM 12 O LIG 1 1.378 -2.553 -0.704 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.933 -1.378 2.813 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.537 0.524 1.282 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 2.485 3.292 0.060 0.00 0.00 +0.230 C ATOM 16 N LIG 1 1.330 2.925 0.705 0.00 0.00 -0.301 N ATOM 17 H LIG 1 0.650 3.649 0.924 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.205 2.459 -0.491 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 2.877 4.794 0.162 0.00 0.00 +0.137 C ATOM 20 C LIG 1 1.705 5.760 -0.004 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 3.596 5.164 -2.172 0.00 0.00 +0.101 C ATOM 22 N LIG 1 3.994 5.094 -0.769 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 4.666 4.324 -0.679 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -2.957 0.950 1.497 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 -3.876 -0.021 0.747 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -3.680 -0.323 -0.641 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -4.516 -1.290 -1.255 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.335 -1.644 -2.603 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -3.348 -1.035 -3.369 0.00 0.00 +0.018 A ATOM 30 C LIG 1 -2.538 -0.060 -2.811 0.00 0.00 +0.016 A ATOM 31 BR LIG 1 -3.125 -1.520 -5.181 0.00 0.00 -0.050 Br ATOM 32 C LIG 1 -5.541 -1.893 -0.522 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -5.777 -1.542 0.804 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -2.709 0.293 -1.468 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -4.965 -0.606 1.442 0.00 0.00 +0.125 A BRANCH 35 36 ATOM 36 O LIG 1 -5.155 -0.191 2.736 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -6.186 -0.819 3.490 0.00 0.00 +0.277 C ENDBRANCH 35 36 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 38 ATOM 38 C LIG 1 2.965 -0.777 -0.919 0.00 0.00 +0.097 C BRANCH 38 39 ATOM 39 C LIG 1 3.583 -1.568 -2.075 0.00 0.00 +0.017 C BRANCH 39 40 ATOM 40 C LIG 1 4.367 -2.794 -1.605 0.00 0.00 +0.074 C BRANCH 40 41 ATOM 41 C LIG 1 4.972 -3.563 -2.766 0.00 0.00 +0.130 C ATOM 42 O LIG 1 5.160 -3.059 -3.872 0.00 0.00 -0.298 OA ATOM 43 C LIG 1 5.387 -4.983 -2.479 0.00 0.00 +0.086 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 11 38 TORSDOF 10