REMARK Name = BDB008150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.495 0.158 -0.296 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.764 -0.667 0.274 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.664 -0.087 1.098 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.821 -0.531 -0.721 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -1.021 -0.899 -1.881 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.126 -1.077 -0.059 0.00 0.00 +0.158 C BRANCH 6 7 ATOM 7 C LIG 1 -3.882 0.185 -0.524 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -3.649 1.314 -0.097 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -4.886 -0.018 -1.428 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -4.865 -0.825 -2.038 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -5.306 0.823 -1.805 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 13 ATOM 12 C LIG 1 -5.103 -2.419 0.839 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -3.798 -1.707 1.165 0.00 0.00 +0.028 C ENDBRANCH 6 13 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 N LIG 1 1.528 -0.361 -1.193 0.00 0.00 -0.302 N ATOM 15 H LIG 1 1.338 -0.242 -2.182 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 2.274 -1.466 -0.837 0.00 0.00 +0.234 C ATOM 17 O LIG 1 2.254 -1.956 0.292 0.00 0.00 -0.274 OA BRANCH 16 18 ATOM 18 C LIG 1 3.097 -2.079 -1.988 0.00 0.00 +0.156 C ATOM 19 C LIG 1 2.197 -2.946 -2.857 0.00 0.00 +0.038 C BRANCH 18 20 ATOM 20 N LIG 1 4.168 -2.880 -1.403 0.00 0.00 -0.304 N ATOM 21 H LIG 1 3.861 -3.538 -0.695 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 5.413 -2.327 -1.204 0.00 0.00 +0.211 C ATOM 23 O LIG 1 5.761 -1.245 -1.664 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 6.330 -3.171 -0.359 0.00 0.00 +0.109 C ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 1 25 ATOM 25 C LIG 1 0.396 1.682 -0.453 0.00 0.00 +0.033 C BRANCH 25 26 ATOM 26 C LIG 1 -0.262 2.364 0.748 0.00 0.00 +0.023 C BRANCH 26 27 ATOM 27 C LIG 1 -0.302 3.884 0.578 0.00 0.00 +0.115 C BRANCH 27 28 ATOM 28 N LIG 1 -0.972 4.506 1.710 0.00 0.00 -0.356 N ATOM 29 H LIG 1 -1.950 4.227 1.768 0.00 0.00 +0.162 HD BRANCH 28 30 ATOM 30 C LIG 1 -0.456 4.542 2.957 0.00 0.00 +0.188 C ATOM 31 N LIG 1 -1.198 4.287 3.972 0.00 0.00 -0.269 NA ATOM 32 H LIG 1 -0.639 4.345 4.824 0.00 0.00 +0.190 HD BRANCH 30 33 ATOM 33 N LIG 1 0.845 4.871 3.042 0.00 0.00 -0.370 N ATOM 34 H LIG 1 1.113 5.545 2.335 0.00 0.00 +0.159 HD ATOM 35 H LIG 1 1.146 5.171 3.959 0.00 0.00 +0.159 HD ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 13