REMARK Name = BDB037661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.959 -2.002 0.600 0.00 0.00 -0.256 N ATOM 2 C LIG 1 -0.185 -1.201 0.732 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.150 0.100 1.205 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -1.500 0.475 1.404 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.322 -0.470 0.922 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.140 0.799 1.494 0.00 0.00 +0.040 C ATOM 7 C LIG 1 2.229 0.168 0.588 0.00 0.00 +0.090 C ATOM 8 N LIG 1 -1.514 -1.461 0.475 0.00 0.00 -0.246 N ATOM 9 C LIG 1 2.205 -1.354 0.747 0.00 0.00 +0.225 C ATOM 10 O LIG 1 3.267 -1.966 0.887 0.00 0.00 -0.275 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.022 1.676 2.072 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.883 2.475 1.338 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.240 2.333 -0.043 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.828 3.641 -0.504 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.781 4.590 0.669 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -2.569 3.109 -1.135 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.436 3.715 1.899 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.692 1.970 3.220 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.644 3.448 2.707 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.613 3.266 3.322 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.177 -2.470 -0.345 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -1.511 -2.728 -1.702 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.237 -3.838 -2.445 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -2.350 -4.993 -1.617 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.186 -4.762 -0.484 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.556 -3.731 0.437 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 6 27 ATOM 27 C LIG 1 1.119 2.308 1.349 0.00 0.00 -0.003 C ATOM 28 C LIG 1 2.286 3.129 1.850 0.00 0.00 +0.004 C ATOM 29 C LIG 1 0.968 3.204 2.557 0.00 0.00 +0.004 C ENDBRANCH 6 27 BRANCH 1 31 ATOM 30 C LIG 1 0.917 -3.917 2.168 0.00 0.00 +0.025 C ATOM 31 C LIG 1 0.990 -3.459 0.718 0.00 0.00 +0.112 C ENDBRANCH 1 31 BRANCH 7 32 ATOM 32 C LIG 1 2.096 0.484 -0.918 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 C LIG 1 3.220 1.365 -1.440 0.00 0.00 +0.134 C ATOM 34 O LIG 1 3.794 2.189 -0.728 0.00 0.00 -0.297 OA BRANCH 33 35 ATOM 35 C LIG 1 3.574 1.218 -2.906 0.00 0.00 +0.078 C BRANCH 35 36 ATOM 36 C LIG 1 4.652 0.229 -3.240 0.00 0.00 -0.004 C ATOM 37 C LIG 1 5.989 0.284 -2.547 0.00 0.00 +0.004 C ATOM 38 C LIG 1 5.080 -0.895 -2.328 0.00 0.00 +0.004 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 9