REMARK Name = BDB012992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.054 -0.802 1.575 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.857 0.239 1.795 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.237 -0.016 1.826 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.690 -1.328 1.627 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.784 -2.370 1.425 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.413 -2.112 1.404 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -1.938 0.430 2.259 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.506 -0.480 1.555 0.00 0.00 +0.250 C ATOM 9 N LIG 1 -2.273 -1.244 0.702 0.00 0.00 -0.252 N ATOM 10 H LIG 1 -1.870 -1.931 0.080 0.00 0.00 +0.158 HD BRANCH 9 11 ATOM 11 C LIG 1 -3.626 -1.067 0.574 0.00 0.00 +0.201 A ATOM 12 N LIG 1 -4.351 -0.147 1.288 0.00 0.00 -0.326 N ATOM 13 H LIG 1 -3.946 0.487 1.965 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 -5.662 -0.247 0.907 0.00 0.00 +0.067 A ATOM 15 C LIG 1 -5.659 -1.258 -0.047 0.00 0.00 +0.091 A ATOM 16 C LIG 1 -6.867 -1.625 -0.659 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -8.052 -0.965 -0.284 0.00 0.00 -0.020 A ATOM 18 C LIG 1 -8.008 0.059 0.677 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -6.812 0.439 1.298 0.00 0.00 +0.028 A ATOM 20 N LIG 1 -4.391 -1.752 -0.242 0.00 0.00 -0.214 NA BRANCH 17 21 ATOM 21 C LIG 1 -9.356 -1.320 -0.947 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 -9.655 -0.397 -1.985 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -8.846 0.109 -2.173 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 3.222 1.112 2.031 0.00 0.00 +0.182 C BRANCH 24 25 ATOM 25 N LIG 1 3.699 1.656 0.765 0.00 0.00 -0.225 N ATOM 26 C LIG 1 3.046 2.741 0.200 0.00 0.00 +0.268 A ATOM 27 O LIG 1 2.092 3.333 0.697 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 3.560 3.192 -1.108 0.00 0.00 +0.074 A ATOM 29 C LIG 1 4.594 2.584 -1.690 0.00 0.00 +0.035 A ATOM 30 C LIG 1 5.198 1.445 -0.963 0.00 0.00 +0.093 A ATOM 31 N LIG 1 4.769 1.007 0.180 0.00 0.00 -0.168 NA BRANCH 30 32 ATOM 32 C LIG 1 6.347 0.760 -1.607 0.00 0.00 +0.020 A ATOM 33 C LIG 1 6.529 -0.602 -1.387 0.00 0.00 +0.120 A ATOM 34 N LIG 1 7.539 -1.330 -1.924 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 8.418 -0.665 -2.704 0.00 0.00 +0.111 A ATOM 36 C LIG 1 8.334 0.693 -2.970 0.00 0.00 +0.020 A ATOM 37 C LIG 1 7.282 1.417 -2.410 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7