REMARK Name = BDB039391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.455 -1.057 -0.843 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.095 -0.049 -0.089 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.476 0.064 -0.138 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.382 1.010 0.576 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.691 0.674 0.033 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.642 -0.460 -0.765 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.566 -1.081 -1.253 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.226 -0.812 -0.916 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.653 -1.821 -1.660 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.260 -1.937 -1.616 0.00 0.00 +0.011 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -3.283 -0.286 -0.809 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.737 -1.624 -0.792 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -5.009 -2.265 -0.762 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -4.801 -3.628 -0.760 0.00 0.00 +0.088 A ATOM 15 N LIG 1 -3.448 -3.839 -0.783 0.00 0.00 -0.335 N ATOM 16 C LIG 1 -2.797 -5.127 -0.782 0.00 0.00 +0.150 C ATOM 17 C LIG 1 -2.785 -2.638 -0.802 0.00 0.00 +0.141 A ATOM 18 N LIG 1 -1.446 -2.502 -0.825 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 -1.017 -1.220 -0.828 0.00 0.00 +0.074 A ATOM 20 C LIG 1 -1.881 -0.119 -0.829 0.00 0.00 +0.034 A BRANCH 11 22 ATOM 21 C LIG 1 -4.814 1.030 -2.234 0.00 0.00 +0.029 C ATOM 22 C LIG 1 -4.185 0.949 -0.831 0.00 0.00 +0.084 C BRANCH 22 23 ATOM 23 N LIG 1 -5.202 0.923 0.250 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 -4.598 0.918 1.597 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -4.333 2.377 1.942 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -5.288 3.168 1.060 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -6.066 2.113 0.287 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 11 22 ENDBRANCH 1 19 BRANCH 5 28 ATOM 28 C LIG 1 5.914 1.220 0.611 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.415 0.354 1.777 0.00 0.00 +0.240 C ATOM 30 O LIG 1 5.668 -0.278 2.522 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 7.765 0.415 2.037 0.00 0.00 -0.255 N ATOM 32 H LIG 1 8.087 -0.128 2.827 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 8.703 1.217 1.437 0.00 0.00 +0.219 C ATOM 34 O LIG 1 9.849 1.286 1.874 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 8.229 2.073 0.286 0.00 0.00 +0.098 C ATOM 36 C LIG 1 7.030 1.446 -0.409 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4