REMARK Name = BDB060419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.510 0.302 -2.132 0.00 0.00 -0.025 A ATOM 2 C LIG 1 -1.458 -0.272 -1.266 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.478 0.492 -0.672 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.535 1.862 -0.974 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.603 2.452 -1.840 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -0.594 1.671 -2.416 0.00 0.00 +0.020 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.450 -0.127 0.247 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -4.832 0.056 0.073 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -5.748 -0.541 0.952 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -5.298 -1.300 2.033 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -3.932 -1.492 2.218 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.019 -0.915 1.330 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 -7.206 -0.360 0.776 0.00 0.00 +0.337 C ATOM 14 O LIG 1 -7.970 -0.154 1.701 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 -7.599 -0.494 -0.509 0.00 0.00 -0.477 OA ATOM 16 H LIG 1 -6.909 -0.828 -1.111 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -1.725 3.904 -2.113 0.00 0.00 +0.337 C ATOM 18 O LIG 1 -2.594 4.639 -1.685 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 -0.749 4.367 -2.913 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 -0.954 5.323 -3.002 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 1 21 ATOM 21 C LIG 1 0.582 -0.546 -2.739 0.00 0.00 +0.180 C BRANCH 21 25 ATOM 22 C LIG 1 3.115 -1.207 -0.288 0.00 0.00 +0.113 A ATOM 23 N LIG 1 2.427 -2.394 -0.366 0.00 0.00 -0.129 NA ATOM 24 N LIG 1 1.455 -2.258 -1.258 0.00 0.00 -0.065 NA ATOM 25 N LIG 1 1.521 -1.002 -1.732 0.00 0.00 -0.247 N ATOM 26 C LIG 1 2.549 -0.306 -1.164 0.00 0.00 +0.139 A BRANCH 22 30 ATOM 27 C LIG 1 6.434 -0.619 2.357 0.00 0.00 +0.025 A ATOM 28 C LIG 1 5.861 -1.879 2.189 0.00 0.00 +0.023 A ATOM 29 C LIG 1 4.767 -2.059 1.334 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.251 -0.989 0.592 0.00 0.00 +0.004 A ATOM 31 C LIG 1 4.868 0.262 0.718 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.961 0.436 1.577 0.00 0.00 +0.023 A BRANCH 27 33 ATOM 33 N LIG 1 7.597 -0.468 3.119 0.00 0.00 -0.358 N ATOM 34 H LIG 1 7.691 -1.150 3.865 0.00 0.00 +0.142 HD ATOM 35 H LIG 1 7.757 0.481 3.444 0.00 0.00 +0.142 HD ENDBRANCH 27 33 ENDBRANCH 22 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 9