REMARK Name = BDB024323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.346 2.334 -0.436 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.983 3.769 -0.806 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.320 4.284 -2.069 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.990 5.597 -2.409 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.327 6.411 -1.492 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.002 5.917 -0.232 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.328 4.605 0.112 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.072 1.556 0.017 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.666 1.113 -1.077 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.450 1.513 -1.977 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.225 1.392 1.197 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.777 0.265 -1.012 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.104 -0.354 0.133 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.184 -1.175 0.130 0.00 0.00 +0.123 A ATOM 15 C LIG 1 3.970 -1.436 -0.984 0.00 0.00 +0.022 A ATOM 16 C LIG 1 3.600 -0.795 -2.167 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.495 0.060 -2.185 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.115 -2.322 -0.950 0.00 0.00 +0.114 A ATOM 19 N LIG 1 5.859 -2.642 -2.059 0.00 0.00 -0.129 NA ATOM 20 N LIG 1 6.828 -3.467 -1.688 0.00 0.00 -0.065 NA ATOM 21 N LIG 1 6.700 -3.664 -0.366 0.00 0.00 -0.254 N ATOM 22 C LIG 1 7.623 -4.521 0.328 0.00 0.00 +0.174 C ATOM 23 C LIG 1 5.643 -2.972 0.144 0.00 0.00 +0.138 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.424 2.334 0.583 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.049 3.109 0.363 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.217 1.095 0.598 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -2.492 0.305 2.919 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -2.638 -0.069 1.439 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -3.486 -1.327 1.275 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.822 -1.380 1.701 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.578 -2.544 1.534 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.007 -3.672 0.940 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.677 -3.632 0.514 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.923 -2.468 0.681 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.782 -4.866 0.769 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.412 -5.831 0.626 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9