REMARK Name = BDB059490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.907 -0.556 -2.258 0.00 0.00 +0.247 C ATOM 2 N LIG 1 4.658 -0.317 -1.691 0.00 0.00 -0.293 N ATOM 3 C LIG 1 3.508 -0.486 -2.574 0.00 0.00 +0.143 C ATOM 4 C LIG 1 2.190 0.009 -2.020 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.097 0.600 -0.749 0.00 0.00 -0.040 A ATOM 6 C LIG 1 0.859 1.071 -0.287 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -0.295 0.928 -1.067 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.203 0.338 -2.332 0.00 0.00 +0.013 A ATOM 9 C LIG 1 3.336 0.782 0.085 0.00 0.00 +0.054 C ATOM 10 C LIG 1 1.032 -0.119 -2.802 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.393 -0.267 -0.253 0.00 0.00 +0.113 C ATOM 12 O LIG 1 6.091 -0.724 -3.461 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 9.373 -0.720 0.288 0.00 0.00 +0.029 A ATOM 14 C LIG 1 8.481 -1.804 0.191 0.00 0.00 +0.024 A ATOM 15 C LIG 1 7.352 -1.762 -0.638 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.085 -0.612 -1.376 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.941 0.482 -1.309 0.00 0.00 +0.015 A ATOM 18 C LIG 1 9.066 0.423 -0.478 0.00 0.00 +0.024 A BRANCH 13 20 ATOM 19 C LIG 1 11.739 -0.222 0.517 0.00 0.00 +0.129 C ATOM 20 N LIG 1 10.503 -0.735 1.122 0.00 0.00 -0.336 N ATOM 21 C LIG 1 10.694 -1.868 2.027 0.00 0.00 +0.129 C ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 22 ATOM 22 C LIG 1 -1.585 1.446 -0.528 0.00 0.00 +0.244 C ATOM 23 N LIG 1 -2.736 0.875 -1.033 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -2.663 -0.038 -1.465 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -1.595 2.310 0.343 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.035 1.196 -0.460 0.00 0.00 +0.137 C BRANCH 26 27 ATOM 27 C LIG 1 -4.321 0.348 0.786 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -4.553 -1.015 0.382 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -5.526 -1.133 0.444 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.520 0.846 1.627 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -6.836 0.371 1.143 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.836 0.431 2.222 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -9.150 -0.154 1.766 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -9.633 0.213 0.500 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -10.868 -0.270 0.057 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -11.611 -1.132 0.865 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -11.130 -1.501 2.121 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.821 1.183 -0.311 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.905 -1.010 2.575 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -7.296 1.077 -0.070 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 7 22 TORSDOF 8