REMARK Name = BDB016725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.397 1.342 -2.131 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.526 1.914 -0.851 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.433 1.866 0.022 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.210 1.305 -0.320 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.386 1.472 0.840 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.072 2.063 1.835 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.071 0.742 -1.601 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.282 2.299 1.308 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.974 2.757 1.888 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.161 0.776 -2.485 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.054 -1.663 0.274 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.444 -1.040 -0.825 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.180 -0.166 -1.611 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.859 0.649 -2.831 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.555 1.372 -3.103 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.167 1.324 -3.175 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.089 0.936 -2.219 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.047 1.247 -2.229 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.351 2.070 -4.122 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.935 0.139 -3.899 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.528 0.055 -1.292 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.162 -0.541 -0.223 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.407 -1.410 0.570 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.774 -3.140 2.121 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.227 -2.497 0.977 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.011 1.079 1.027 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -1.957 1.260 0.018 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.292 0.871 0.214 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.735 0.296 1.415 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -2.769 0.140 2.420 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -1.433 0.525 2.236 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.043 -0.083 1.598 0.00 0.00 -0.328 N ATOM 33 C LIG 1 -6.055 -0.105 0.537 0.00 0.00 +0.124 C ATOM 34 C LIG 1 -7.215 -0.936 1.143 0.00 0.00 +0.075 C ATOM 35 C LIG 1 -7.101 -0.596 2.632 0.00 0.00 +0.039 C ATOM 36 C LIG 1 -5.589 -0.587 2.857 0.00 0.00 +0.107 C BRANCH 34 37 ATOM 37 N LIG 1 -8.570 -0.816 0.572 0.00 0.00 -0.304 NA ATOM 38 C LIG 1 -8.604 -1.322 -0.802 0.00 0.00 +0.104 C ATOM 39 C LIG 1 -9.133 0.532 0.620 0.00 0.00 +0.104 C ENDBRANCH 34 37 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5