REMARK Name = BDB060614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.563 -1.771 0.181 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.614 -1.086 -0.163 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.878 -1.581 0.194 0.00 0.00 +0.035 A ATOM 4 C LIG 1 1.956 -2.781 0.897 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.792 -3.471 1.240 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.462 -2.970 0.883 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.063 -1.647 0.073 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.789 -1.195 -0.222 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.719 -0.317 -0.718 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.363 -2.591 0.793 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -6.421 0.050 -0.305 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -5.352 -0.695 0.207 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -4.167 -0.847 -0.528 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.059 -0.278 -1.801 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.121 0.464 -2.315 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -6.292 0.631 -1.568 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -8.732 0.852 0.217 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -7.574 0.157 0.502 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -7.535 -0.337 1.384 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -8.969 1.519 -0.781 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -10.927 1.333 1.222 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -9.742 0.717 1.308 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 N LIG 1 3.004 -0.826 -0.201 0.00 0.00 -0.280 N ATOM 24 H LIG 1 2.809 0.030 -0.703 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 4.334 -1.077 0.110 0.00 0.00 +0.267 C ATOM 26 O LIG 1 4.769 -1.970 0.826 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 5.296 -0.116 -0.511 0.00 0.00 +0.126 A ATOM 28 N LIG 1 6.179 0.472 0.333 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 7.058 1.343 -0.209 0.00 0.00 +0.089 A ATOM 30 C LIG 1 7.079 1.657 -1.563 0.00 0.00 +0.030 A ATOM 31 C LIG 1 6.160 1.040 -2.409 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.248 0.134 -1.879 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 7.980 1.925 0.751 0.00 0.00 +0.084 A ATOM 34 N LIG 1 7.990 1.532 2.067 0.00 0.00 -0.275 N ATOM 35 H LIG 1 7.392 0.828 2.489 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 8.899 2.173 2.824 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 9.497 2.995 1.962 0.00 0.00 +0.135 A ATOM 38 C LIG 1 8.970 2.885 0.662 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 23 TORSDOF 7