REMARK Name = BDB012171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.846 -2.992 -0.815 0.00 0.00 +0.080 C ATOM 2 C LIG 1 -2.311 -3.202 0.611 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -1.290 -2.142 1.009 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -0.175 -2.059 0.065 0.00 0.00 -0.301 N ATOM 5 C LIG 1 1.053 -1.480 0.362 0.00 0.00 +0.216 C ATOM 6 O LIG 1 1.975 -1.435 -0.455 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -0.391 -2.594 -1.281 0.00 0.00 +0.108 C ATOM 8 C LIG 1 -1.816 -2.339 -1.751 0.00 0.00 +0.032 C ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 -5.413 -0.571 -0.454 0.00 0.00 +0.248 A ATOM 10 O LIG 1 -4.104 -0.952 -0.299 0.00 0.00 -0.420 OA ATOM 11 C LIG 1 -4.122 -2.223 -0.810 0.00 0.00 +0.221 A ATOM 12 N LIG 1 -5.315 -2.591 -1.224 0.00 0.00 -0.112 NA ATOM 13 N LIG 1 -6.152 -1.520 -0.992 0.00 0.00 -0.107 NA BRANCH 9 16 ATOM 14 C LIG 1 -7.507 2.462 0.312 0.00 0.00 +0.052 A ATOM 15 C LIG 1 -7.123 1.181 -0.103 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -5.783 0.768 -0.013 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -4.836 1.668 0.500 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -5.216 2.947 0.915 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -6.550 3.344 0.822 0.00 0.00 +0.019 A BRANCH 14 21 ATOM 20 N LIG 1 -9.987 3.204 0.142 0.00 0.00 -0.191 NA ATOM 21 C LIG 1 -8.878 2.869 0.216 0.00 0.00 +0.099 C ENDBRANCH 14 21 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 C LIG 1 1.211 -0.875 1.752 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 2.570 -0.198 1.955 0.00 0.00 +0.017 C BRANCH 23 24 ATOM 24 C LIG 1 2.738 1.068 1.106 0.00 0.00 +0.075 C BRANCH 24 25 ATOM 25 C LIG 1 4.058 1.075 0.369 0.00 0.00 +0.110 A ATOM 26 N LIG 1 4.191 0.157 -0.638 0.00 0.00 -0.310 N ATOM 27 H LIG 1 3.441 -0.509 -0.828 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 5.328 0.026 -1.393 0.00 0.00 +0.259 A ATOM 29 O LIG 1 5.446 -0.815 -2.277 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 6.413 0.967 -1.067 0.00 0.00 +0.065 A ATOM 31 C LIG 1 6.190 1.874 -0.027 0.00 0.00 +0.078 A ATOM 32 C LIG 1 7.205 2.774 0.302 0.00 0.00 +0.028 A ATOM 33 C LIG 1 8.418 2.766 -0.395 0.00 0.00 +0.002 A ATOM 34 C LIG 1 8.626 1.854 -1.431 0.00 0.00 +0.001 A ATOM 35 C LIG 1 7.622 0.948 -1.771 0.00 0.00 +0.015 A ATOM 36 N LIG 1 4.986 1.914 0.698 0.00 0.00 -0.234 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7