REMARK Name = BDB064990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 0.425 -1.606 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.144 0.396 -0.945 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.071 0.572 0.057 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.264 0.239 -2.802 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -3.612 1.074 -0.389 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -3.255 1.241 0.964 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -1.946 1.148 1.424 0.00 0.00 +0.090 A ATOM 8 C LIG 1 -1.959 1.367 2.822 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -3.269 1.573 3.196 0.00 0.00 +0.085 A ATOM 10 N LIG 1 -0.892 0.888 0.618 0.00 0.00 -0.241 NA ATOM 11 C LIG 1 -1.227 0.720 -0.689 0.00 0.00 +0.127 A ATOM 12 N LIG 1 -4.043 1.489 2.069 0.00 0.00 -0.359 N ATOM 13 H LIG 1 -5.054 1.546 2.028 0.00 0.00 +0.165 HD ATOM 14 C LIG 1 -2.515 0.801 -1.221 0.00 0.00 +0.040 A BRANCH 5 16 ATOM 15 C LIG 1 -5.248 0.977 -2.389 0.00 0.00 +0.029 C ATOM 16 C LIG 1 -5.046 1.234 -0.886 0.00 0.00 +0.086 C BRANCH 16 17 ATOM 17 N LIG 1 -6.001 0.506 -0.017 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 -5.840 -0.960 -0.025 0.00 0.00 +0.088 C ATOM 19 C LIG 1 -7.109 -1.726 0.410 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -6.763 -3.141 0.868 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.854 -0.954 1.499 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -8.218 0.455 1.021 0.00 0.00 +0.016 C ATOM 23 C LIG 1 -7.391 0.921 -0.183 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 11 BRANCH 2 24 ATOM 24 C LIG 1 2.423 0.163 -1.475 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.502 0.177 -0.579 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.841 -0.051 -0.978 0.00 0.00 -0.032 A ATOM 27 C LIG 1 5.040 -0.285 -2.352 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.978 -0.298 -3.260 0.00 0.00 +0.002 A ATOM 29 C LIG 1 2.673 -0.077 -2.821 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 6.032 -0.042 0.109 0.00 0.00 +0.056 C ATOM 31 C LIG 1 7.530 -0.023 -0.359 0.00 0.00 +0.024 C ATOM 32 C LIG 1 7.479 1.524 -0.301 0.00 0.00 +0.005 C ATOM 33 C LIG 1 6.345 1.366 0.745 0.00 0.00 +0.024 C BRANCH 30 34 ATOM 34 C LIG 1 5.789 -1.170 1.192 0.00 0.00 +0.144 A ATOM 35 N LIG 1 5.638 -2.514 0.978 0.00 0.00 -0.320 N ATOM 36 C LIG 1 5.663 -3.219 -0.274 0.00 0.00 +0.151 C ATOM 37 C LIG 1 5.448 -3.071 2.204 0.00 0.00 +0.224 A ATOM 38 N LIG 1 5.486 -2.135 3.122 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 5.697 -0.935 2.485 0.00 0.00 -0.134 NA ENDBRANCH 30 34 BRANCH 32 40 ATOM 40 C LIG 1 8.758 2.211 0.158 0.00 0.00 +0.122 C BRANCH 40 41 ATOM 41 C LIG 1 8.557 3.659 0.299 0.00 0.00 +0.063 C ATOM 42 N LIG 1 8.403 4.804 0.400 0.00 0.00 -0.197 NA ENDBRANCH 40 41 ENDBRANCH 32 40 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 8