REMARK Name = BDB031930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.430 -2.027 -1.776 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.923 -0.777 -2.181 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.684 -0.360 -1.682 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.086 -1.126 -0.819 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.256 -0.341 -0.561 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.204 0.822 -1.220 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.402 -2.386 -0.428 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.037 0.782 -1.877 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.216 1.578 -2.450 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.647 -2.815 -0.916 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.971 1.106 0.589 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.591 -0.124 0.032 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.212 -0.570 -1.126 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.064 -1.805 -1.969 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.764 -2.514 -2.292 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.107 -1.637 -3.050 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.730 -0.421 -2.828 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.476 -0.078 -3.413 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.336 -2.436 -3.942 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.777 -3.146 -1.357 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.220 0.219 -1.698 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.622 1.431 -1.177 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.981 1.877 -0.017 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.606 2.688 2.331 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.285 1.443 1.725 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.241 -0.788 0.254 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.129 -1.700 0.690 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.477 -0.228 0.670 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -4.284 -0.999 1.569 0.00 0.00 +0.142 A ATOM 30 C LIG 1 -5.514 -0.518 2.025 0.00 0.00 +0.061 A ATOM 31 C LIG 1 -5.911 0.724 1.572 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -7.139 1.466 1.883 0.00 0.00 +0.247 C ATOM 33 N LIG 1 -7.065 2.655 1.183 0.00 0.00 -0.296 N ATOM 34 C LIG 1 -5.847 2.778 0.400 0.00 0.00 +0.143 C ATOM 35 C LIG 1 -8.072 3.687 1.201 0.00 0.00 +0.132 C ATOM 36 O LIG 1 -8.021 1.067 2.620 0.00 0.00 -0.270 OA ATOM 37 C LIG 1 -5.148 1.495 0.699 0.00 0.00 -0.016 A ATOM 38 C LIG 1 -3.928 1.030 0.240 0.00 0.00 +0.033 A BRANCH 29 39 ATOM 39 O LIG 1 -3.741 -2.218 1.922 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 -4.504 -3.026 2.812 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5