REMARK Name = BDB017219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.307 -1.847 1.919 0.00 0.00 -0.292 OA ATOM 2 C LIG 1 0.668 -1.055 1.049 0.00 0.00 +0.167 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 2.106 -1.065 0.624 0.00 0.00 +0.018 A ATOM 4 C LIG 1 2.644 -0.124 -0.266 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.002 -0.173 -0.635 0.00 0.00 -0.014 A ATOM 6 C LIG 1 4.827 -1.181 -0.101 0.00 0.00 +0.000 A ATOM 7 C LIG 1 6.168 -1.192 -0.495 0.00 0.00 +0.119 A ATOM 8 N LIG 1 6.722 -0.303 -1.351 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 5.905 0.649 -1.844 0.00 0.00 +0.111 A ATOM 10 C LIG 1 4.289 -2.121 0.791 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.561 0.755 -1.522 0.00 0.00 +0.028 A ATOM 12 C LIG 1 2.940 -2.060 1.149 0.00 0.00 +0.012 A ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 -0.304 -0.064 0.413 0.00 0.00 +0.074 C ATOM 14 C LIG 1 -1.743 -0.609 0.498 0.00 0.00 +0.096 C ATOM 15 N LIG 1 -2.686 0.452 0.098 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 -2.697 1.526 1.115 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -1.393 1.656 1.916 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -0.173 1.323 1.065 0.00 0.00 +0.014 C BRANCH 15 19 ATOM 19 C LIG 1 -4.044 -0.117 -0.057 0.00 0.00 +0.057 C ATOM 20 C LIG 1 -4.146 -0.860 -1.420 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -4.595 0.464 -2.067 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -5.017 0.932 -0.663 0.00 0.00 +0.019 C ENDBRANCH 15 19 ENDBRANCH 2 13 TORSDOF 3