REMARK Name = BDB000409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.028 -0.993 -0.865 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.928 -0.085 -1.598 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -0.697 -0.172 -2.594 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.668 0.879 -1.381 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 1.452 -0.819 -1.335 0.00 0.00 +0.132 C BRANCH 5 6 ATOM 6 O LIG 1 1.516 -0.956 -2.759 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 1.321 -1.883 -2.978 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 2.019 0.556 -0.947 0.00 0.00 +0.046 C BRANCH 8 9 ATOM 9 C LIG 1 3.567 0.641 -0.977 0.00 0.00 +0.080 C BRANCH 9 10 ATOM 10 C LIG 1 3.978 1.946 -0.282 0.00 0.00 +0.217 C ATOM 11 N LIG 1 5.137 1.851 0.455 0.00 0.00 -0.312 N ATOM 12 H LIG 1 5.740 1.044 0.305 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 3.328 2.983 -0.372 0.00 0.00 -0.275 OA BRANCH 11 14 ATOM 14 C LIG 1 5.782 3.018 1.042 0.00 0.00 +0.079 C ATOM 15 C LIG 1 6.621 3.758 -0.002 0.00 0.00 +0.028 C BRANCH 14 16 ATOM 16 C LIG 1 6.602 2.650 2.284 0.00 0.00 +0.117 C BRANCH 16 17 ATOM 17 C LIG 1 7.669 1.606 2.028 0.00 0.00 +0.212 C ATOM 18 O LIG 1 7.664 0.826 1.081 0.00 0.00 -0.276 OA ATOM 19 N LIG 1 8.646 1.547 2.978 0.00 0.00 -0.329 N ATOM 20 H LIG 1 9.351 0.827 2.884 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.613 2.079 3.837 0.00 0.00 +0.145 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 9 10 BRANCH 9 22 ATOM 22 C LIG 1 4.210 0.501 -2.384 0.00 0.00 -0.005 C ATOM 23 C LIG 1 5.741 0.432 -2.334 0.00 0.00 +0.008 C ATOM 24 C LIG 1 3.782 1.593 -3.370 0.00 0.00 +0.008 C ENDBRANCH 9 22 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 -0.502 -2.454 -1.068 0.00 0.00 +0.025 C BRANCH 25 26 ATOM 26 C LIG 1 -1.915 -2.773 -0.503 0.00 0.00 -0.003 C BRANCH 26 27 ATOM 27 C LIG 1 -2.467 -4.092 -1.136 0.00 0.00 -0.014 C ATOM 28 C LIG 1 -1.606 -5.332 -0.878 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -3.916 -4.375 -0.730 0.00 0.00 +0.007 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 -1.902 -2.775 1.051 0.00 0.00 +0.039 C BRANCH 30 35 ATOM 31 C LIG 1 -4.620 -0.255 2.007 0.00 0.00 +0.162 A ATOM 32 C LIG 1 -5.395 -1.010 2.908 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -5.022 -2.326 3.204 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.896 -2.895 2.603 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -3.129 -2.164 1.693 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -3.491 -0.835 1.418 0.00 0.00 +0.053 A BRANCH 32 37 ATOM 37 O LIG 1 -6.489 -0.375 3.445 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -7.298 -1.110 4.351 0.00 0.00 +0.277 C ENDBRANCH 32 37 BRANCH 31 39 ATOM 39 O LIG 1 -5.056 1.024 1.766 0.00 0.00 -0.488 OA BRANCH 39 40 ATOM 40 C LIG 1 -4.324 1.866 0.875 0.00 0.00 +0.231 C BRANCH 40 41 ATOM 41 C LIG 1 -4.741 1.615 -0.573 0.00 0.00 +0.069 C BRANCH 41 42 ATOM 42 C LIG 1 -3.971 2.495 -1.551 0.00 0.00 +0.163 C BRANCH 42 44 ATOM 43 C LIG 1 -5.344 4.433 -1.678 0.00 0.00 +0.193 C ATOM 44 O LIG 1 -4.101 3.886 -1.259 0.00 0.00 -0.383 OA ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 21