REMARK Name = BDB036103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.943 2.541 0.964 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -2.684 3.126 1.065 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.459 4.144 1.924 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -3.481 4.523 2.707 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -4.710 3.992 2.719 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -4.913 2.995 1.838 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.617 2.709 0.235 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.281 1.353 -0.090 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.180 1.654 0.294 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.600 1.052 1.641 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.025 1.496 1.983 0.00 0.00 +0.085 C ATOM 12 N LIG 1 3.012 1.181 0.934 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.593 1.751 -0.355 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.194 1.315 -0.800 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.253 3.134 0.361 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.329 -0.257 0.896 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.583 -0.602 0.061 0.00 0.00 +0.006 C ATOM 18 C LIG 1 4.890 -2.124 0.057 0.00 0.00 -0.006 C ATOM 19 C LIG 1 5.961 -2.390 -1.022 0.00 0.00 +0.011 C ATOM 20 C LIG 1 7.244 -1.563 -0.739 0.00 0.00 -0.019 C ATOM 21 C LIG 1 7.051 -0.790 0.611 0.00 0.00 -0.004 C ATOM 22 C LIG 1 6.727 -1.781 1.751 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.582 -0.617 -1.918 0.00 0.00 +0.081 C ATOM 24 C LIG 1 9.082 -0.487 -1.819 0.00 0.00 +0.134 C ATOM 25 O LIG 1 9.732 0.371 -2.402 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 9.686 -1.542 -0.936 0.00 0.00 +0.075 C ATOM 27 C LIG 1 8.497 -2.474 -0.730 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.465 -2.583 1.409 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.838 0.166 0.532 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -4.199 1.538 0.066 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -6.217 0.936 -1.069 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -5.148 1.824 -0.891 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -5.022 2.937 -1.730 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -6.001 3.191 -2.692 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -7.093 2.335 -2.811 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -8.036 2.597 -3.724 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.221 1.214 -2.001 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.109 -1.502 -0.539 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -6.405 -0.189 -0.147 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -6.868 0.124 0.949 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -3.879 -1.352 -1.712 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.305 -1.903 -1.724 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -6.002 -1.661 -3.062 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -6.431 -2.590 0.419 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.913 -2.633 0.807 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -5.519 -2.569 1.647 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8