REMARK Name = BDB017366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.195 -0.597 -0.180 0.00 0.00 -0.314 N ATOM 2 H LIG 1 -2.591 -0.475 -1.114 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.150 -0.429 0.844 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.435 0.058 0.567 0.00 0.00 +0.081 A ATOM 5 C LIG 1 -5.349 0.222 1.626 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -6.644 0.723 1.380 0.00 0.00 -0.306 N ATOM 7 H LIG 1 -7.248 0.819 2.182 0.00 0.00 +0.170 HD ATOM 8 C LIG 1 -7.143 1.088 0.143 0.00 0.00 +0.261 A ATOM 9 C LIG 1 -6.221 0.918 -0.960 0.00 0.00 +0.085 A ATOM 10 C LIG 1 -6.294 1.144 -2.353 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.065 0.772 -2.862 0.00 0.00 +0.196 A ATOM 12 O LIG 1 -4.240 0.330 -1.868 0.00 0.00 -0.462 OA ATOM 13 O LIG 1 -8.281 1.518 -0.001 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -5.070 -0.075 2.908 0.00 0.00 -0.237 NA ATOM 15 C LIG 1 -3.834 -0.561 3.150 0.00 0.00 +0.115 A ATOM 16 C LIG 1 -4.959 0.433 -0.725 0.00 0.00 +0.152 A ATOM 17 C LIG 1 -2.865 -0.753 2.174 0.00 0.00 +0.044 A ENDBRANCH 1 3 BRANCH 1 21 ATOM 18 C LIG 1 2.042 -0.386 -0.245 0.00 0.00 +0.034 A ATOM 19 C LIG 1 1.333 0.215 0.793 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -0.068 0.164 0.825 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.792 -0.478 -0.181 0.00 0.00 +0.031 A ATOM 22 C LIG 1 -0.073 -1.078 -1.222 0.00 0.00 +0.025 A ATOM 23 C LIG 1 1.325 -1.031 -1.257 0.00 0.00 +0.025 A BRANCH 18 26 ATOM 24 O LIG 1 4.104 0.576 1.676 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 4.355 0.120 0.568 0.00 0.00 +0.248 C ATOM 26 N LIG 1 3.448 -0.377 -0.351 0.00 0.00 -0.282 N ATOM 27 H LIG 1 3.829 -0.851 -1.159 0.00 0.00 +0.155 HD BRANCH 25 28 ATOM 28 C LIG 1 5.782 0.031 0.146 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.751 -0.244 1.119 0.00 0.00 +0.013 A ATOM 30 C LIG 1 8.096 -0.336 0.760 0.00 0.00 +0.001 A ATOM 31 C LIG 1 8.479 -0.142 -0.567 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.519 0.152 -1.537 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.171 0.244 -1.183 0.00 0.00 +0.013 A ENDBRANCH 25 28 ENDBRANCH 18 26 ENDBRANCH 1 21 TORSDOF 4