REMARK Name = BDB024432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.174 -0.872 -0.763 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.027 -2.106 0.120 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.069 -1.949 1.518 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.939 -3.047 2.369 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.776 -4.323 1.836 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.757 -4.502 0.455 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.889 -3.403 -0.399 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.633 -1.072 -2.201 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.645 -0.773 -2.553 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.793 -0.809 -3.554 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.385 -1.466 -3.106 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.809 -0.415 -1.882 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.775 0.003 -2.725 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.969 0.376 -2.197 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.274 0.346 -0.843 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.266 -0.114 0.003 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.025 -0.501 -0.519 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.578 0.753 -0.352 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.859 1.154 0.939 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.190 1.459 0.968 0.00 0.00 -0.274 N ATOM 21 C LIG 1 7.952 1.925 2.101 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.802 1.292 -0.217 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.823 0.863 -1.017 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.611 -0.498 -0.809 0.00 0.00 -0.300 NA ATOM 25 H LIG 1 -3.088 -1.196 -1.389 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.843 0.844 -1.350 0.00 0.00 +0.105 C BRANCH 26 27 ATOM 27 C LIG 1 -4.333 1.186 -1.496 0.00 0.00 +0.159 C BRANCH 27 30 ATOM 28 C LIG 1 -4.141 3.422 0.663 0.00 0.00 +0.065 C ATOM 29 C LIG 1 -5.018 2.228 0.723 0.00 0.00 +0.037 A ATOM 30 N LIG 1 -5.064 1.246 -0.242 0.00 0.00 -0.266 N ATOM 31 N LIG 1 -5.994 0.299 0.013 0.00 0.00 -0.160 NA ATOM 32 C LIG 1 -6.484 0.639 1.210 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -5.917 1.833 1.694 0.00 0.00 +0.063 A BRANCH 32 34 ATOM 34 C LIG 1 -7.487 -0.171 1.838 0.00 0.00 +0.121 C ATOM 35 N LIG 1 -8.303 -0.796 2.382 0.00 0.00 -0.189 NA ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9