REMARK Name = BDB020669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.759 -2.144 0.369 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -2.160 -1.001 -0.125 0.00 0.00 +0.100 A ATOM 3 N LIG 1 -0.784 -1.164 -0.162 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.530 -2.466 0.261 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.813 -2.916 0.274 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.794 -2.083 -0.119 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.532 -0.691 -0.527 0.00 0.00 -0.017 A ATOM 8 C LIG 1 2.752 0.128 -0.872 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.240 -0.246 -0.540 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -1.718 -3.074 0.601 0.00 0.00 +0.036 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.356 -1.373 1.185 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -6.951 -2.606 0.872 0.00 0.00 +0.204 A ATOM 13 C LIG 1 -6.183 -3.697 0.433 0.00 0.00 +0.166 A ATOM 14 C LIG 1 -4.806 -3.529 0.268 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -4.197 -2.296 0.548 0.00 0.00 -0.009 A ATOM 16 C LIG 1 -4.978 -1.226 1.011 0.00 0.00 +0.058 A BRANCH 11 18 ATOM 17 C LIG 1 -6.604 0.795 2.148 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -7.199 -0.386 1.627 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 -8.304 -2.771 1.078 0.00 0.00 -0.488 OA ATOM 20 C LIG 1 -9.012 -2.462 -0.121 0.00 0.00 +0.277 C ENDBRANCH 12 19 BRANCH 13 21 ATOM 21 O LIG 1 -6.864 -4.859 0.177 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -6.093 -6.026 -0.069 0.00 0.00 +0.277 C ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 6 23 ATOM 23 C LIG 1 3.154 -2.694 -0.101 0.00 0.00 +0.245 C ATOM 24 N LIG 1 3.663 -2.914 -1.355 0.00 0.00 -0.307 N ATOM 25 H LIG 1 3.157 -2.575 -2.166 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 3.719 -2.986 0.945 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 5.016 -3.371 -1.575 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 5.928 -2.185 -1.683 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.802 -1.413 -2.966 0.00 0.00 +0.254 A ATOM 30 O LIG 1 4.994 -1.726 -3.836 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 6.623 -0.326 -3.114 0.00 0.00 -0.326 N ATOM 32 H LIG 1 6.516 0.187 -3.982 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 7.534 0.093 -2.176 0.00 0.00 +0.016 A ATOM 34 C LIG 1 8.343 1.309 -2.499 0.00 0.00 +0.063 C ATOM 35 C LIG 1 7.656 -0.599 -1.036 0.00 0.00 +0.024 A ATOM 36 C LIG 1 6.836 -1.774 -0.772 0.00 0.00 -0.039 A ATOM 37 C LIG 1 7.091 -2.421 0.562 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 6 23 BRANCH 9 38 ATOM 38 C LIG 1 -0.184 1.187 -0.911 0.00 0.00 +0.101 C ATOM 39 C LIG 1 -0.084 1.332 -2.442 0.00 0.00 +0.031 C BRANCH 38 40 ATOM 40 N LIG 1 0.537 2.232 -0.141 0.00 0.00 -0.294 NA ATOM 41 C LIG 1 0.343 3.593 -0.660 0.00 0.00 +0.086 C ATOM 42 C LIG 1 0.969 4.652 0.248 0.00 0.00 +0.034 C ATOM 43 C LIG 1 0.397 4.617 1.680 0.00 0.00 +0.058 C ATOM 44 C LIG 1 -0.404 3.329 1.930 0.00 0.00 +0.034 C ATOM 45 C LIG 1 0.309 2.126 1.313 0.00 0.00 +0.086 C BRANCH 43 46 ATOM 46 N LIG 1 -0.295 5.878 2.034 0.00 0.00 -0.305 NA ATOM 47 C LIG 1 -1.547 6.109 1.315 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -0.508 6.005 3.475 0.00 0.00 +0.104 C ENDBRANCH 43 46 ENDBRANCH 38 40 ENDBRANCH 9 38 TORSDOF 10