REMARK Name = BDB045356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.561 2.158 0.490 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.893 1.695 0.724 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.714 2.720 0.274 0.00 0.00 +0.067 A ATOM 4 C LIG 1 5.112 2.661 0.321 0.00 0.00 +0.031 A ATOM 5 C LIG 1 5.723 1.502 0.836 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.896 0.470 1.313 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.862 3.692 -0.171 0.00 0.00 -0.276 N ATOM 8 H LIG 1 3.106 4.593 -0.565 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 3.495 0.543 1.260 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.562 3.380 -0.062 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 7.227 1.380 0.918 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.997 0.332 0.140 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.405 -0.693 -0.787 0.00 0.00 -0.011 A ATOM 14 C LIG 1 8.139 -1.880 -0.634 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.872 -3.037 -1.337 0.00 0.00 +0.023 A ATOM 16 C LIG 1 6.815 -3.000 -2.246 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.067 -1.823 -2.428 0.00 0.00 +0.000 A ATOM 18 N LIG 1 9.152 -1.685 0.307 0.00 0.00 -0.284 N ATOM 19 H LIG 1 9.831 -2.374 0.590 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.363 -0.663 -1.702 0.00 0.00 +0.006 A ATOM 21 C LIG 1 9.145 -0.394 0.803 0.00 0.00 +0.228 C ATOM 22 O LIG 1 9.908 0.091 1.622 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 8.106 1.778 -0.251 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.881 1.852 0.584 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.372 1.416 0.802 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.477 -0.298 1.524 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -4.374 1.081 1.748 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -3.195 1.768 1.441 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -2.089 1.089 0.918 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.193 -0.287 0.684 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.372 -0.975 0.991 0.00 0.00 +0.005 A BRANCH 26 32 ATOM 32 C LIG 1 -5.753 -1.043 1.858 0.00 0.00 +0.119 C BRANCH 32 39 ATOM 33 C LIG 1 -9.011 1.267 -1.138 0.00 0.00 +0.039 C ATOM 34 C LIG 1 -8.473 -0.067 -0.638 0.00 0.00 +0.130 C ATOM 35 O LIG 1 -8.016 -0.808 -1.782 0.00 0.00 -0.371 OA ATOM 36 C LIG 1 -7.491 -2.085 -1.378 0.00 0.00 +0.130 C ATOM 37 C LIG 1 -7.027 -2.810 -2.634 0.00 0.00 +0.039 C ATOM 38 C LIG 1 -6.325 -1.908 -0.379 0.00 0.00 +0.116 C ATOM 39 N LIG 1 -6.767 -1.150 0.803 0.00 0.00 -0.293 NA ATOM 40 C LIG 1 -7.324 0.144 0.374 0.00 0.00 +0.116 C ENDBRANCH 32 39 ENDBRANCH 26 32 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 5