REMARK Name = BDB002474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.533 -2.455 0.376 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -1.818 -1.088 0.352 0.00 0.00 -0.025 C ATOM 3 C LIG 1 -0.326 -1.125 -0.209 0.00 0.00 +0.026 C ATOM 4 C LIG 1 0.082 -1.604 1.233 0.00 0.00 +0.013 C ATOM 5 C LIG 1 0.262 0.234 -0.471 0.00 0.00 -0.028 C ATOM 6 C LIG 1 0.105 1.150 0.506 0.00 0.00 -0.021 C ATOM 7 C LIG 1 -0.606 0.782 1.795 0.00 0.00 +0.031 C ATOM 8 C LIG 1 -1.090 -0.683 1.710 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -2.795 -0.073 -0.255 0.00 0.00 +0.012 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.846 0.573 -1.792 0.00 0.00 +0.137 C ATOM 11 N LIG 1 1.899 1.241 -2.135 0.00 0.00 -0.172 NA BRANCH 11 12 ATOM 12 N LIG 1 2.806 1.598 -1.186 0.00 0.00 -0.207 N ATOM 13 C LIG 1 3.287 0.919 -0.095 0.00 0.00 +0.248 A ATOM 14 N LIG 1 4.208 1.628 0.519 0.00 0.00 -0.136 NA ATOM 15 N LIG 1 4.398 2.777 -0.212 0.00 0.00 -0.136 NA ATOM 16 C LIG 1 3.583 2.725 -1.242 0.00 0.00 +0.248 A ENDBRANCH 11 12 ENDBRANCH 5 10 TORSDOF 2