REMARK Name = BDB037867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.570 0.241 -0.528 0.00 0.00 +0.167 C ATOM 2 C LIG 1 1.550 -0.843 -0.092 0.00 0.00 +0.057 C ATOM 3 C LIG 1 0.200 -0.198 -0.162 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.089 -0.748 -0.392 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.009 0.228 -0.322 0.00 0.00 -0.164 NA ATOM 6 N LIG 1 -1.320 1.381 -0.155 0.00 0.00 -0.246 N ATOM 7 C LIG 1 0.020 1.156 0.062 0.00 0.00 +0.130 A ATOM 8 N LIG 1 1.055 2.029 0.424 0.00 0.00 -0.255 N ATOM 9 C LIG 1 2.373 1.533 0.304 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.352 2.116 0.786 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.419 -2.159 -0.697 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.713 -2.617 -0.482 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.815 -1.929 0.126 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.837 -2.957 0.538 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.283 -4.310 0.166 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.171 -2.091 1.573 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.065 -4.021 -0.746 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.558 -2.934 -1.118 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.415 -4.228 -2.167 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.721 -4.407 -3.273 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 -2.068 2.599 -0.452 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -1.402 3.524 -1.473 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.304 4.714 -1.796 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.244 5.020 -0.766 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -2.732 4.815 0.544 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.577 3.323 0.800 0.00 0.00 +0.055 C ENDBRANCH 6 21 BRANCH 1 28 ATOM 27 C LIG 1 4.541 -1.030 -1.333 0.00 0.00 +0.213 C ATOM 28 N LIG 1 3.970 -0.170 -0.428 0.00 0.00 -0.303 N ATOM 29 H LIG 1 4.560 0.382 0.189 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 3.907 -1.563 -2.235 0.00 0.00 -0.276 OA BRANCH 27 32 ATOM 31 C LIG 1 6.630 -2.224 -2.079 0.00 0.00 +0.013 C ATOM 32 C LIG 1 6.020 -1.248 -1.089 0.00 0.00 +0.092 C ENDBRANCH 27 32 ENDBRANCH 1 28 BRANCH 2 33 ATOM 33 C LIG 1 1.857 -1.380 1.301 0.00 0.00 -0.001 C ATOM 34 C LIG 1 1.341 -2.729 1.743 0.00 0.00 +0.004 C ATOM 35 C LIG 1 2.808 -2.538 1.487 0.00 0.00 +0.004 C ENDBRANCH 2 33 BRANCH 8 36 ATOM 36 C LIG 1 0.901 3.231 1.238 0.00 0.00 +0.112 C ATOM 37 C LIG 1 0.827 2.909 2.724 0.00 0.00 +0.025 C ENDBRANCH 8 36 TORSDOF 7