REMARK Name = BDB026693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.013 -3.403 -0.953 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.640 -3.363 -0.675 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.027 -2.121 -0.455 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.271 -1.863 -0.122 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 1.388 -0.545 -0.075 0.00 0.00 +0.148 A ATOM 6 N LIG 1 0.141 0.069 -0.249 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -0.768 -0.947 -0.545 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -2.151 -0.972 -0.801 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -2.755 -2.218 -1.019 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.177 1.449 -0.092 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -1.044 2.077 -0.996 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -1.362 3.433 -0.839 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.198 4.160 -1.855 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -2.952 5.317 -1.222 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -2.057 6.170 -0.354 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -1.097 5.510 0.367 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -0.593 6.073 1.041 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -2.231 7.379 -0.218 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -0.799 4.154 0.220 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.077 3.539 1.111 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.384 2.184 0.961 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 2.689 0.128 0.126 0.00 0.00 +0.039 A ATOM 23 C LIG 1 3.603 -0.340 1.103 0.00 0.00 +0.044 A ATOM 24 C LIG 1 4.796 0.362 1.311 0.00 0.00 +0.024 A ATOM 25 C LIG 1 5.109 1.485 0.540 0.00 0.00 +0.002 A ATOM 26 C LIG 1 4.240 1.914 -0.456 0.00 0.00 +0.001 A ATOM 27 C LIG 1 3.041 1.235 -0.668 0.00 0.00 +0.013 A BRANCH 23 28 ATOM 28 N LIG 1 3.285 -1.523 1.814 0.00 0.00 -0.285 N ATOM 29 H LIG 1 2.476 -2.028 1.449 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 3.979 -2.119 2.846 0.00 0.00 +0.214 C ATOM 31 O LIG 1 4.982 -1.689 3.406 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 3.369 -3.436 3.256 0.00 0.00 +0.109 C ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 36 ATOM 33 C LIG 1 -4.631 -6.131 -0.909 0.00 0.00 +0.128 C ATOM 34 N LIG 1 -3.971 -4.851 -0.838 0.00 0.00 -0.314 N ATOM 35 H LIG 1 -4.382 -4.147 -0.240 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -2.639 -4.734 -1.182 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -1.969 -5.660 -1.621 0.00 0.00 -0.270 OA ENDBRANCH 1 36 TORSDOF 4