REMARK Name = BDB043029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.394 1.076 0.995 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.707 2.312 0.940 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.552 2.420 0.353 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.934 3.742 0.476 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.144 4.352 1.155 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.185 1.347 -0.205 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -0.570 0.192 -0.174 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.133 3.507 1.447 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 0.786 0.008 0.452 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.207 4.371 -0.004 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -1.940 5.485 -1.018 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -3.049 4.896 1.161 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 2.660 1.088 1.602 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.816 2.026 1.993 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 3.177 0.052 2.486 0.00 0.00 +0.158 C BRANCH 15 21 ATOM 16 C LIG 1 6.993 -2.595 -2.345 0.00 0.00 +0.044 C ATOM 17 C LIG 1 6.063 -2.226 -1.229 0.00 0.00 -0.046 A ATOM 18 C LIG 1 5.322 -3.139 -0.565 0.00 0.00 +0.050 A ATOM 19 C LIG 1 4.457 -2.733 0.491 0.00 0.00 +0.138 A ATOM 20 N LIG 1 4.416 -1.378 0.803 0.00 0.00 -0.302 N ATOM 21 C LIG 1 3.520 -1.242 1.845 0.00 0.00 +0.063 A ATOM 22 C LIG 1 3.077 -2.527 2.116 0.00 0.00 +0.062 A ATOM 23 C LIG 1 2.108 -2.984 3.140 0.00 0.00 +0.067 C ATOM 24 C LIG 1 5.173 -0.423 0.123 0.00 0.00 +0.093 A ATOM 25 N LIG 1 3.654 -3.434 1.262 0.00 0.00 -0.233 NA ATOM 26 C LIG 1 5.986 -0.810 -0.874 0.00 0.00 +0.021 A ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 N LIG 1 -1.168 -0.923 -0.728 0.00 0.00 -0.329 N ATOM 28 H LIG 1 -0.548 -1.702 -0.927 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.328 -0.850 -1.604 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.636 -0.616 -0.825 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -3.882 -1.693 0.241 0.00 0.00 +0.133 C ATOM 32 C LIG 1 -4.225 -3.062 -0.392 0.00 0.00 +0.112 C ATOM 33 N LIG 1 -4.944 -3.009 -1.679 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -4.284 -3.064 -2.451 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -5.727 -1.782 -1.792 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -4.835 -0.536 -1.801 0.00 0.00 +0.023 C BRANCH 31 37 ATOM 37 O LIG 1 -4.966 -1.274 1.084 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -4.690 -0.442 1.507 0.00 0.00 +0.210 HD ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 8