REMARK Name = BDB034043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.175 1.407 -2.251 0.00 0.00 +0.096 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.805 2.959 -2.259 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.589 2.562 -2.781 0.00 0.00 -0.311 N ATOM 4 H LIG 1 0.053 3.291 -3.239 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 2.434 2.312 -1.430 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 3.608 4.720 -2.233 0.00 0.00 +0.013 C ATOM 7 C LIG 1 2.296 4.267 -2.849 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.533 1.304 -2.975 0.00 0.00 +0.086 C BRANCH 8 9 ATOM 9 C LIG 1 -2.550 0.574 -2.153 0.00 0.00 +0.081 A ATOM 10 S LIG 1 -3.116 -0.977 -2.621 0.00 0.00 -0.072 S ATOM 11 C LIG 1 -4.121 -1.031 -1.223 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.971 0.158 -0.511 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -4.709 0.333 0.674 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -5.569 -0.680 1.117 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.715 -1.872 0.398 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -4.983 -2.054 -0.789 0.00 0.00 +0.021 A ATOM 17 N LIG 1 -3.089 1.074 -1.063 0.00 0.00 -0.244 NA BRANCH 15 18 ATOM 18 C LIG 1 -6.645 -2.977 0.874 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -8.101 -2.507 0.919 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -6.209 -3.534 2.232 0.00 0.00 +0.012 C ENDBRANCH 15 18 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.621 0.081 -2.398 0.00 0.00 +0.126 C BRANCH 21 22 ATOM 22 N LIG 1 1.491 -0.171 -1.262 0.00 0.00 -0.312 N ATOM 23 H LIG 1 2.231 0.519 -1.130 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 1.020 -0.827 -0.147 0.00 0.00 +0.233 C ATOM 25 O LIG 1 -0.097 -1.347 -0.123 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 C LIG 1 1.991 -0.909 1.079 0.00 0.00 +0.094 C ATOM 27 C LIG 1 3.225 -1.756 0.710 0.00 0.00 +0.032 C ATOM 28 C LIG 1 4.338 -1.613 1.749 0.00 0.00 +0.008 C ATOM 29 C LIG 1 4.851 -0.154 1.867 0.00 0.00 -0.035 C ATOM 30 C LIG 1 5.126 0.161 3.350 0.00 0.00 +0.011 C ATOM 31 C LIG 1 6.176 -0.005 1.095 0.00 0.00 +0.011 C ATOM 32 C LIG 1 3.834 0.861 1.288 0.00 0.00 +0.008 C ATOM 33 C LIG 1 2.380 0.495 1.597 0.00 0.00 +0.032 C BRANCH 26 34 ATOM 34 N LIG 1 1.253 -1.594 2.181 0.00 0.00 -0.317 NA ATOM 35 H LIG 1 0.415 -1.038 2.376 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 0.865 -2.458 1.790 0.00 0.00 +0.119 HD ENDBRANCH 26 34 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9