REMARK Name = BDB062313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.906 4.998 -0.276 0.00 0.00 +0.152 C ATOM 2 N LIG 1 0.147 3.758 -0.224 0.00 0.00 -0.308 N ATOM 3 C LIG 1 0.806 2.525 0.038 0.00 0.00 +0.054 A ATOM 4 C LIG 1 0.065 1.332 0.067 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.767 0.113 0.212 0.00 0.00 +0.035 A ATOM 6 C LIG 1 2.157 0.056 0.396 0.00 0.00 +0.032 A ATOM 7 C LIG 1 2.860 1.255 0.408 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.417 1.369 -0.084 0.00 0.00 +0.084 A ATOM 9 N LIG 1 -2.132 0.197 0.180 0.00 0.00 -0.337 N ATOM 10 H LIG 1 -1.630 -0.473 0.751 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 -3.106 -0.390 -0.735 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -4.340 0.510 -0.865 0.00 0.00 +0.063 C ATOM 13 C LIG 1 -3.990 1.866 -1.457 0.00 0.00 +0.231 C ATOM 14 O LIG 1 -3.380 2.710 -0.487 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 -2.004 2.547 -0.390 0.00 0.00 +0.207 A ATOM 16 C LIG 1 2.197 2.472 0.229 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -1.209 3.814 -0.513 0.00 0.00 +0.295 A ATOM 18 O LIG 1 -1.777 4.853 -0.857 0.00 0.00 -0.264 OA ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -3.566 -1.785 -0.285 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -4.012 -2.018 1.187 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -3.439 -3.445 1.057 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -2.508 -2.900 -0.047 0.00 0.00 +0.005 C ENDBRANCH 11 19 BRANCH 6 23 ATOM 23 N LIG 1 2.777 -1.205 0.498 0.00 0.00 -0.313 N ATOM 24 H LIG 1 2.174 -1.904 0.928 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 4.101 -1.624 0.230 0.00 0.00 +0.053 A ATOM 26 C LIG 1 4.700 -2.667 0.960 0.00 0.00 +0.110 A ATOM 27 C LIG 1 6.018 -2.998 0.670 0.00 0.00 +0.148 A ATOM 28 CL LIG 1 6.877 -4.251 1.483 0.00 0.00 -0.061 Cl ATOM 29 N LIG 1 6.770 -2.384 -0.271 0.00 0.00 -0.242 NA ATOM 30 C LIG 1 6.180 -1.391 -0.961 0.00 0.00 +0.114 A ATOM 31 C LIG 1 4.874 -0.981 -0.746 0.00 0.00 +0.044 A BRANCH 26 32 ATOM 32 C LIG 1 3.976 -3.368 1.971 0.00 0.00 +0.104 C ATOM 33 N LIG 1 3.330 -3.914 2.766 0.00 0.00 -0.191 NA ENDBRANCH 26 32 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 4