REMARK Name = BDB031740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.485 -0.161 1.873 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.858 -1.418 1.771 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.479 -1.463 1.534 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.687 -0.328 1.426 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.365 -0.817 1.176 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.348 -2.152 1.152 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 2.299 0.930 1.571 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.620 -2.511 1.359 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.840 -3.499 1.371 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.684 0.991 1.793 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.559 -1.946 -2.269 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.616 -1.098 -1.157 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.632 -1.276 -0.225 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.976 -0.587 1.067 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.980 -0.062 2.082 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.228 -1.293 1.536 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.518 -2.271 0.602 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.314 -2.885 0.683 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.846 -1.030 2.554 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.808 0.894 1.245 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.591 -2.278 -0.443 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.580 -3.113 -1.538 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.544 -2.937 -2.457 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.451 -1.110 -2.982 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.600 -1.910 -3.246 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.688 0.021 1.036 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.529 1.020 1.083 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.967 -0.225 0.475 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -2.970 0.718 0.710 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.232 0.493 0.158 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.482 -0.654 -0.499 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -3.468 -1.523 -0.667 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -3.769 -2.805 -1.377 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -2.220 -1.346 -0.215 0.00 0.00 -0.214 NA BRANCH 30 35 ATOM 35 N LIG 1 -5.277 1.413 0.293 0.00 0.00 -0.307 N ATOM 36 C LIG 1 -6.622 0.925 -0.053 0.00 0.00 +0.138 C ATOM 37 C LIG 1 -7.621 2.094 0.011 0.00 0.00 +0.133 C ATOM 38 C LIG 1 -9.047 1.615 -0.228 0.00 0.00 +0.039 C ATOM 39 O LIG 1 -7.335 3.100 -0.975 0.00 0.00 -0.371 OA ATOM 40 C LIG 1 -5.933 3.350 -1.178 0.00 0.00 +0.133 C ATOM 41 C LIG 1 -5.541 2.838 -2.562 0.00 0.00 +0.039 C ATOM 42 C LIG 1 -4.999 2.817 -0.064 0.00 0.00 +0.138 C ENDBRANCH 30 35 BRANCH 29 43 ATOM 43 O LIG 1 -2.663 1.836 1.456 0.00 0.00 -0.489 OA ATOM 44 C LIG 1 -3.155 1.667 2.789 0.00 0.00 +0.277 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6