REMARK Name = BDB004631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.636 -1.976 1.895 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.585 -1.335 2.143 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.685 -2.038 2.663 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.550 -3.406 2.927 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.336 -4.048 2.692 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.752 -3.336 2.180 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.940 -1.610 0.981 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -1.682 -1.185 1.371 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.445 -0.217 1.203 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.351 -2.764 0.964 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -5.650 1.319 -0.519 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -5.710 0.037 -0.941 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -4.828 -0.859 -0.427 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -3.851 -0.540 0.502 0.00 0.00 +0.055 A ATOM 15 C LIG 1 -3.807 0.773 0.961 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -4.713 1.704 0.445 0.00 0.00 +0.044 A BRANCH 11 18 ATOM 17 C LIG 1 -5.898 3.370 -1.720 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -6.562 2.271 -1.019 0.00 0.00 -0.321 N ATOM 19 C LIG 1 -7.656 1.660 -1.777 0.00 0.00 +0.130 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 3.006 -1.339 2.889 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 3.819 -1.382 1.677 0.00 0.00 -0.324 N ATOM 22 H LIG 1 3.604 -2.215 1.134 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.796 -0.258 0.828 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.544 -0.281 -0.370 0.00 0.00 +0.041 A ATOM 25 C LIG 1 4.485 0.874 -1.177 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.209 0.862 -2.388 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.973 -0.255 -2.776 0.00 0.00 +0.015 A ATOM 28 C LIG 1 6.041 -1.377 -1.968 0.00 0.00 +0.002 A ATOM 29 N LIG 1 3.760 1.944 -0.782 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 3.121 1.871 0.390 0.00 0.00 +0.223 A ATOM 31 C LIG 1 5.334 -1.388 -0.773 0.00 0.00 +0.013 A ATOM 32 N LIG 1 3.100 0.824 1.211 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 5.227 2.015 -3.345 0.00 0.00 +0.244 C ATOM 34 O LIG 1 5.844 1.961 -4.404 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 4.539 3.144 -3.018 0.00 0.00 -0.325 N ATOM 36 H LIG 1 4.548 3.926 -3.656 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 4.022 3.206 -2.146 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7