REMARK Name = BDB011074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.195 2.004 0.278 0.00 0.00 +0.125 A ATOM 2 N LIG 1 -0.981 0.679 -0.046 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -1.938 -0.064 0.618 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.601 0.871 1.405 0.00 0.00 +0.182 A ATOM 5 N LIG 1 -3.593 0.578 2.260 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.885 -0.721 2.289 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -3.329 -1.712 1.553 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -2.347 -1.393 0.677 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.158 2.133 1.165 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.957 -1.157 3.212 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.295 -2.457 3.249 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.900 -3.203 2.702 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.276 -2.579 4.152 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.841 -3.617 4.459 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.541 -1.339 4.677 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.646 -0.426 4.027 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.850 -2.491 -0.142 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.096 -2.535 -1.523 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.620 -3.597 -2.293 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -1.904 -3.611 -3.990 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -0.912 -4.640 -1.702 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.685 -4.627 -0.328 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.157 -3.563 0.446 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.479 3.270 -0.352 0.00 0.00 +0.074 C ATOM 25 C LIG 1 -1.388 4.433 -0.718 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -0.809 3.573 -1.800 0.00 0.00 +0.022 C BRANCH 24 29 ATOM 27 C LIG 1 2.109 5.260 -1.435 0.00 0.00 +0.088 C ATOM 28 C LIG 1 1.900 4.456 -0.218 0.00 0.00 +0.126 A ATOM 29 C LIG 1 0.908 3.639 0.288 0.00 0.00 +0.096 A ATOM 30 N LIG 1 1.295 3.156 1.518 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 2.470 3.702 1.716 0.00 0.00 +0.308 A ATOM 32 O LIG 1 2.914 4.491 0.703 0.00 0.00 -0.447 OA ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 2 33 ATOM 33 C LIG 1 0.014 0.197 -0.989 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.125 -0.681 -0.376 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.121 0.158 0.442 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.450 -0.569 0.613 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.153 -0.764 -0.742 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.106 -1.958 -0.673 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.157 -0.902 -1.907 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.834 -1.518 -1.464 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 6