REMARK Name = BDB015050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.701 0.593 -1.963 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.579 0.325 -1.155 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.407 1.293 -0.950 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.270 2.547 -1.549 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.833 2.831 -2.352 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.811 1.859 -2.559 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 5.336 -2.579 -0.528 0.00 0.00 -0.326 N ATOM 8 C LIG 1 4.449 -1.902 -1.331 0.00 0.00 +0.069 A ATOM 9 C LIG 1 4.710 -2.392 -2.608 0.00 0.00 +0.089 A ATOM 10 C LIG 1 3.980 -1.897 -3.696 0.00 0.00 +0.030 A ATOM 11 C LIG 1 3.001 -0.920 -3.465 0.00 0.00 +0.011 A ATOM 12 C LIG 1 2.736 -0.430 -2.174 0.00 0.00 -0.016 A ATOM 13 N LIG 1 5.702 -3.341 -2.581 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 3.472 -0.928 -1.080 0.00 0.00 +0.036 A ATOM 15 C LIG 1 6.051 -3.436 -1.319 0.00 0.00 +0.200 A BRANCH 7 16 ATOM 16 C LIG 1 5.468 -2.471 0.916 0.00 0.00 +0.158 C BRANCH 16 20 ATOM 17 C LIG 1 7.495 1.151 2.149 0.00 0.00 +0.120 A ATOM 18 C LIG 1 8.145 0.231 1.328 0.00 0.00 +0.046 A ATOM 19 C LIG 1 7.491 -0.940 0.927 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.175 -1.206 1.335 0.00 0.00 -0.027 A ATOM 21 C LIG 1 5.533 -0.280 2.167 0.00 0.00 +0.009 A ATOM 22 C LIG 1 6.190 0.886 2.567 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 9.322 2.672 2.163 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.017 2.327 2.612 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 16 20 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 -1.535 1.144 -0.191 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.790 -0.161 0.345 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 -3.132 -0.125 1.093 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 -3.000 0.789 2.196 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -2.648 1.618 1.821 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.287 0.322 0.161 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.636 -0.119 0.584 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -6.620 0.269 -0.450 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.060 0.002 -0.068 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.432 -0.152 1.277 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.777 -0.363 1.609 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.752 -0.394 0.613 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.389 -0.222 -0.721 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.375 -0.159 2.349 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.051 -0.022 -1.061 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.041 0.443 1.882 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 10