REMARK Name = BDB000015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.010 -1.797 0.064 0.00 0.00 -0.310 N ATOM 2 H LIG 1 0.280 -1.340 -0.817 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.364 -0.962 1.153 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.307 0.048 1.017 0.00 0.00 +0.071 A ATOM 5 C LIG 1 2.032 0.510 -0.165 0.00 0.00 +0.256 C ATOM 6 N LIG 1 2.852 1.527 0.242 0.00 0.00 -0.222 N ATOM 7 C LIG 1 2.648 1.830 1.562 0.00 0.00 +0.255 C ATOM 8 O LIG 1 3.143 2.720 2.223 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 1.871 0.055 -1.286 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 1.685 0.862 2.072 0.00 0.00 +0.051 A ATOM 11 C LIG 1 1.173 0.705 3.344 0.00 0.00 +0.014 A ATOM 12 C LIG 1 0.253 -0.326 3.530 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.140 -1.152 2.450 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 3.661 2.350 -0.641 0.00 0.00 +0.171 C ATOM 15 C LIG 1 2.754 3.266 -1.469 0.00 0.00 +0.240 C ATOM 16 O LIG 1 1.622 3.597 -1.130 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 3.312 3.776 -2.621 0.00 0.00 -0.255 N ATOM 18 H LIG 1 2.728 4.402 -3.155 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 4.535 3.477 -3.168 0.00 0.00 +0.219 C ATOM 20 O LIG 1 4.919 4.019 -4.200 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 5.411 2.517 -2.395 0.00 0.00 +0.098 C ATOM 22 C LIG 1 4.581 1.553 -1.562 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 -2.321 -1.624 -0.735 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -1.286 -2.359 -0.103 0.00 0.00 +0.085 A ATOM 25 C LIG 1 -1.621 -3.650 0.367 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -0.929 -4.691 1.034 0.00 0.00 +0.144 A ATOM 27 N LIG 1 -1.697 -5.758 1.274 0.00 0.00 -0.179 NA ATOM 28 N LIG 1 -2.892 -5.408 0.753 0.00 0.00 -0.267 N ATOM 29 C LIG 1 -3.990 -6.346 0.824 0.00 0.00 +0.173 C ATOM 30 C LIG 1 -2.912 -4.154 0.185 0.00 0.00 +0.071 A ATOM 31 C LIG 1 -3.923 -3.430 -0.469 0.00 0.00 +0.032 A ATOM 32 C LIG 1 -3.599 -2.155 -0.938 0.00 0.00 +0.050 A BRANCH 23 33 ATOM 33 O LIG 1 -2.048 -0.390 -1.287 0.00 0.00 -0.451 OA BRANCH 33 36 ATOM 34 C LIG 1 -1.182 1.931 -2.511 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -1.746 1.933 -1.114 0.00 0.00 -0.005 A ATOM 36 C LIG 1 -2.188 0.739 -0.506 0.00 0.00 +0.166 A ATOM 37 C LIG 1 -2.698 0.791 0.797 0.00 0.00 +0.166 A ATOM 38 F LIG 1 -3.116 -0.309 1.444 0.00 0.00 -0.202 F ATOM 39 C LIG 1 -2.757 1.994 1.497 0.00 0.00 +0.042 A ATOM 40 C LIG 1 -2.325 3.174 0.896 0.00 0.00 +0.003 A ATOM 41 C LIG 1 -1.819 3.142 -0.403 0.00 0.00 +0.007 A ENDBRANCH 33 36 ENDBRANCH 23 33 ENDBRANCH 1 24 TORSDOF 5