REMARK Name = BDB004851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.549 1.555 -0.600 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.266 0.997 -0.462 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.484 0.614 -1.583 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.064 0.794 -2.853 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.341 1.341 -3.002 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.081 1.716 -1.883 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.766 0.075 -1.347 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.042 0.007 -0.376 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.638 -0.452 -2.283 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.429 -0.621 -3.478 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.945 -0.895 -1.733 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -4.611 -0.155 -0.751 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -5.828 -0.608 -0.257 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -6.357 -1.763 -0.720 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -5.715 -2.449 -1.691 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -4.514 -2.058 -2.233 0.00 0.00 +0.033 A BRANCH 13 17 ATOM 17 N LIG 1 -6.513 0.070 0.719 0.00 0.00 -0.315 N ATOM 18 C LIG 1 -7.858 -0.359 1.096 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -8.492 0.894 1.702 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -7.299 1.679 2.221 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -6.240 1.431 1.151 0.00 0.00 +0.106 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 C LIG 1 2.359 1.932 0.621 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 3.138 0.790 1.091 0.00 0.00 -0.324 N ATOM 24 H LIG 1 2.678 -0.082 0.845 0.00 0.00 +0.148 HD BRANCH 23 28 ATOM 25 C LIG 1 7.400 -1.520 1.022 0.00 0.00 +0.063 A ATOM 26 C LIG 1 6.606 -0.416 0.643 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.269 -0.391 1.088 0.00 0.00 +0.041 A ATOM 28 C LIG 1 4.487 0.714 0.683 0.00 0.00 +0.130 A ATOM 29 N LIG 1 4.998 1.717 -0.045 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 6.273 1.606 -0.410 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.773 -1.436 1.908 0.00 0.00 +0.013 A ATOM 32 C LIG 1 5.571 -2.511 2.272 0.00 0.00 +0.002 A ATOM 33 N LIG 1 7.093 0.592 -0.115 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 6.881 -2.554 1.826 0.00 0.00 +0.015 A BRANCH 25 38 ATOM 35 N LIG 1 9.402 -0.715 -0.159 0.00 0.00 -0.325 N ATOM 36 H LIG 1 8.868 0.098 -0.454 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 10.367 -0.815 -0.438 0.00 0.00 +0.145 HD ATOM 38 C LIG 1 8.832 -1.681 0.615 0.00 0.00 +0.244 C ATOM 39 O LIG 1 9.492 -2.655 0.960 0.00 0.00 -0.270 OA ENDBRANCH 25 38 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7