REMARK Name = BDB010311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.931 -1.413 -1.293 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.792 -1.732 -0.558 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.615 -3.027 -0.091 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.574 -3.177 0.559 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.157 -2.006 0.488 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.492 -4.025 -0.271 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.563 -3.643 -0.974 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.336 -1.073 -0.117 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.811 -2.416 -1.485 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.410 -1.692 0.932 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.486 -2.258 0.062 0.00 0.00 +0.106 C ATOM 12 C LIG 1 4.732 -2.715 0.850 0.00 0.00 +0.027 C ATOM 13 C LIG 1 5.107 -1.833 2.038 0.00 0.00 +0.004 C ATOM 14 C LIG 1 3.894 -1.370 2.842 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.597 -2.008 2.360 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 3.833 -1.264 -1.042 0.00 0.00 -0.024 A ATOM 17 C LIG 1 4.328 0.018 -0.761 0.00 0.00 +0.043 A ATOM 18 C LIG 1 4.619 0.900 -1.798 0.00 0.00 +0.124 A ATOM 19 F LIG 1 5.078 2.125 -1.509 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.428 0.538 -3.124 0.00 0.00 +0.038 A ATOM 21 C LIG 1 3.933 -0.729 -3.422 0.00 0.00 +0.003 A ATOM 22 C LIG 1 3.636 -1.622 -2.389 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 23 ATOM 23 N LIG 1 -2.183 -0.169 -1.839 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.689 0.619 -1.454 0.00 0.00 +0.148 HD BRANCH 23 26 ATOM 25 C LIG 1 -3.258 1.051 -3.626 0.00 0.00 +0.028 C ATOM 26 C LIG 1 -3.486 0.121 -2.430 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -4.466 0.789 -1.458 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.074 2.112 -0.742 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -4.939 1.641 0.445 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.689 0.196 -0.036 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 7 31 ATOM 31 C LIG 1 -3.599 -4.710 -1.219 0.00 0.00 +0.375 C ATOM 32 O LIG 1 -3.557 -5.874 -0.857 0.00 0.00 -0.242 OA BRANCH 31 33 ATOM 33 O LIG 1 -4.672 -4.269 -1.919 0.00 0.00 -0.475 OA ATOM 34 H LIG 1 -5.238 -5.063 -1.997 0.00 0.00 +0.296 HD ENDBRANCH 31 33 ENDBRANCH 7 31 BRANCH 8 35 ATOM 35 C LIG 1 0.629 0.340 -0.257 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.153 1.244 0.717 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.035 2.715 0.312 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.671 3.672 1.270 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.225 3.452 2.720 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.980 4.387 3.664 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.428 1.990 3.130 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.279 1.030 2.176 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9