REMARK Name = BDB001355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.387 0.996 1.085 0.00 0.00 +0.186 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.684 0.117 1.566 0.00 0.00 -0.298 N ATOM 3 H LIG 1 -1.581 0.549 1.769 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.589 -1.250 1.495 0.00 0.00 +0.248 C ATOM 5 O LIG 1 0.447 -1.825 1.173 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 -1.805 -2.039 1.845 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -3.117 -1.548 1.761 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -4.201 -2.346 2.147 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -3.989 -3.656 2.573 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.694 -4.168 2.625 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.609 -3.365 2.264 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -3.402 -0.266 1.357 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -3.531 -0.022 0.004 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -3.503 -0.988 -1.006 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.622 -0.602 -2.343 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.770 0.744 -2.676 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.803 1.709 -1.672 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.685 1.326 -0.335 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.116 2.376 1.671 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -0.987 2.889 1.814 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 1.226 3.034 2.057 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 0.899 3.887 2.407 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 0.395 1.077 -0.448 0.00 0.00 +0.071 C BRANCH 23 33 ATOM 24 C LIG 1 5.328 -1.829 -0.618 0.00 0.00 +0.044 C ATOM 25 C LIG 1 4.794 -0.471 -0.966 0.00 0.00 -0.050 A ATOM 26 C LIG 1 3.438 -0.175 -0.746 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.927 1.092 -1.099 0.00 0.00 +0.003 A ATOM 28 C LIG 1 3.790 2.021 -1.676 0.00 0.00 +0.047 A ATOM 29 N LIG 1 3.054 3.156 -1.925 0.00 0.00 -0.360 N ATOM 30 H LIG 1 3.425 3.995 -2.346 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 1.756 2.977 -1.526 0.00 0.00 +0.087 A ATOM 32 C LIG 1 5.140 1.749 -1.921 0.00 0.00 +0.026 A ATOM 33 C LIG 1 1.637 1.705 -1.003 0.00 0.00 -0.020 A ATOM 34 C LIG 1 5.623 0.486 -1.560 0.00 0.00 +0.005 A ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 8