REMARK Name = BDB004888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.136 -0.923 -1.289 0.00 0.00 -0.319 N ATOM 2 H LIG 1 0.765 -1.627 -1.677 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.933 -0.068 -0.497 0.00 0.00 +0.130 A ATOM 4 C LIG 1 1.998 0.634 -1.100 0.00 0.00 +0.041 A ATOM 5 C LIG 1 2.766 1.465 -0.261 0.00 0.00 +0.088 A ATOM 6 C LIG 1 3.842 2.167 -0.847 0.00 0.00 +0.063 A ATOM 7 C LIG 1 4.132 2.050 -2.220 0.00 0.00 +0.015 A ATOM 8 C LIG 1 3.361 1.242 -3.039 0.00 0.00 +0.002 A ATOM 9 N LIG 1 2.465 1.577 1.052 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.421 0.880 1.516 0.00 0.00 +0.223 A ATOM 11 C LIG 1 2.300 0.541 -2.482 0.00 0.00 +0.013 A ATOM 12 N LIG 1 0.652 0.058 0.806 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 4.744 3.078 -0.074 0.00 0.00 +0.244 C ATOM 14 O LIG 1 5.661 3.686 -0.618 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 4.531 3.226 1.263 0.00 0.00 -0.325 N ATOM 16 H LIG 1 3.759 2.749 1.723 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 5.120 3.854 1.790 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.006 -1.627 -0.667 0.00 0.00 +0.128 C BRANCH 18 21 ATOM 19 C LIG 1 -3.393 0.334 1.637 0.00 0.00 +0.084 A ATOM 20 C LIG 1 -2.412 -0.573 1.210 0.00 0.00 +0.034 A ATOM 21 C LIG 1 -2.075 -0.673 -0.148 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.744 0.164 -1.061 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -3.716 1.072 -0.634 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.041 1.164 0.717 0.00 0.00 +0.029 A BRANCH 19 26 ATOM 25 C LIG 1 -4.918 0.511 3.453 0.00 0.00 +0.165 C ATOM 26 N LIG 1 -3.678 0.424 3.060 0.00 0.00 -0.147 N ATOM 27 O LIG 1 -2.736 0.378 3.917 0.00 0.00 -0.164 OA ENDBRANCH 19 26 ENDBRANCH 18 21 BRANCH 18 28 ATOM 28 C LIG 1 -0.527 -2.765 0.273 0.00 0.00 +0.186 C BRANCH 28 29 ATOM 29 O LIG 1 0.331 -3.685 -0.430 0.00 0.00 -0.381 OA ATOM 30 C LIG 1 -0.386 -4.742 -1.054 0.00 0.00 +0.194 C ENDBRANCH 28 29 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 7