REMARK Name = BDB045774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.761 -5.132 1.994 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.047 -4.785 2.410 0.00 0.00 +0.161 A ATOM 3 C LIG 1 -3.654 -3.611 1.963 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -3.006 -2.754 1.085 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -1.725 -3.089 0.637 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.149 -2.169 -0.255 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.792 -1.049 -0.627 0.00 0.00 -0.199 NA ATOM 8 C LIG 1 -3.010 -0.824 -0.140 0.00 0.00 +0.217 A ATOM 9 N LIG 1 -3.635 -1.639 0.712 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.103 -4.280 1.107 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.083 -6.640 2.149 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -1.250 -6.296 2.498 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 2 13 ATOM 13 O LIG 1 -3.715 -5.609 3.276 0.00 0.00 -0.503 OA ATOM 14 H LIG 1 -4.599 -5.248 3.451 0.00 0.00 +0.292 HD ENDBRANCH 2 13 BRANCH 8 15 ATOM 15 N LIG 1 -3.606 0.352 -0.552 0.00 0.00 -0.313 N ATOM 16 H LIG 1 -2.888 0.911 -1.005 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -4.400 1.076 0.436 0.00 0.00 +0.110 C BRANCH 17 18 ATOM 18 C LIG 1 -3.591 1.583 1.636 0.00 0.00 +0.074 C BRANCH 18 19 ATOM 19 C LIG 1 -2.507 2.554 1.241 0.00 0.00 +0.043 A ATOM 20 N LIG 1 -2.902 3.771 0.796 0.00 0.00 -0.260 NA ATOM 21 C LIG 1 -1.936 4.638 0.418 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -0.583 4.351 0.461 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -0.193 3.102 0.924 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -1.165 2.188 1.321 0.00 0.00 +0.023 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 8 15 BRANCH 6 25 ATOM 25 N LIG 1 0.148 -2.432 -0.775 0.00 0.00 -0.299 N ATOM 26 H LIG 1 0.146 -3.348 -1.214 0.00 0.00 +0.154 HD BRANCH 25 27 ATOM 27 C LIG 1 1.032 -1.548 -1.432 0.00 0.00 +0.032 A ATOM 28 C LIG 1 2.072 -2.074 -2.209 0.00 0.00 +0.025 A ATOM 29 C LIG 1 3.022 -1.237 -2.810 0.00 0.00 +0.025 A ATOM 30 C LIG 1 2.982 0.147 -2.616 0.00 0.00 +0.034 A ATOM 31 C LIG 1 1.953 0.678 -1.844 0.00 0.00 +0.025 A ATOM 32 C LIG 1 1.008 -0.164 -1.242 0.00 0.00 +0.025 A BRANCH 30 33 ATOM 33 N LIG 1 3.966 0.913 -3.264 0.00 0.00 -0.282 N ATOM 34 H LIG 1 4.446 0.465 -4.037 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 4.330 2.235 -3.149 0.00 0.00 +0.248 C ATOM 36 O LIG 1 4.969 2.771 -4.054 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.064 3.015 -1.921 0.00 0.00 +0.037 A ATOM 38 C LIG 1 4.364 2.495 -0.656 0.00 0.00 +0.013 A ATOM 39 C LIG 1 4.141 3.270 0.483 0.00 0.00 +0.001 A ATOM 40 C LIG 1 3.638 4.567 0.358 0.00 0.00 +0.000 A ATOM 41 C LIG 1 3.365 5.095 -0.905 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.585 4.324 -2.047 0.00 0.00 +0.013 A ENDBRANCH 35 37 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 10