REMARK Name = BDB060036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.098 0.662 1.238 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.636 0.052 2.384 0.00 0.00 -0.287 N ATOM 3 C LIG 1 0.763 0.183 2.752 0.00 0.00 +0.163 C ATOM 4 C LIG 1 0.785 -0.234 4.220 0.00 0.00 +0.055 C ATOM 5 C LIG 1 -0.353 -1.276 4.356 0.00 0.00 +0.072 C ATOM 6 C LIG 1 -1.093 -1.092 5.688 0.00 0.00 +0.028 C ATOM 7 C LIG 1 -1.285 -0.997 3.160 0.00 0.00 +0.130 C ATOM 8 O LIG 1 -0.376 1.437 0.600 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 1.656 -0.742 1.897 0.00 0.00 +0.234 C ATOM 10 N LIG 1 2.982 -0.360 1.851 0.00 0.00 -0.310 N ATOM 11 H LIG 1 3.198 0.607 2.049 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 1.230 -1.769 1.374 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 3.922 -1.063 1.004 0.00 0.00 +0.139 C BRANCH 13 14 ATOM 14 C LIG 1 4.015 -0.410 -0.351 0.00 0.00 -0.030 A ATOM 15 C LIG 1 5.021 0.526 -0.632 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.094 1.165 -1.884 0.00 0.00 -0.013 A ATOM 17 C LIG 1 4.135 0.875 -2.877 0.00 0.00 +0.022 A ATOM 18 C LIG 1 4.248 1.557 -4.107 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.228 2.439 -4.385 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 6.132 2.682 -3.416 0.00 0.00 +0.113 A ATOM 21 C LIG 1 3.129 -0.072 -2.584 0.00 0.00 +0.012 A ATOM 22 C LIG 1 6.106 2.086 -2.167 0.00 0.00 +0.028 A ATOM 23 C LIG 1 3.070 -0.702 -1.340 0.00 0.00 +0.006 A BRANCH 18 24 ATOM 24 N LIG 1 3.337 1.355 -5.150 0.00 0.00 -0.343 N ATOM 25 H LIG 1 2.392 1.546 -4.835 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 3.616 1.990 -5.894 0.00 0.00 +0.144 HD ENDBRANCH 18 24 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 9 BRANCH 5 27 ATOM 27 C LIG 1 0.178 -2.652 4.299 0.00 0.00 +0.071 C ATOM 28 N LIG 1 0.589 -3.737 4.308 0.00 0.00 -0.196 NA ENDBRANCH 5 27 BRANCH 1 29 ATOM 29 C LIG 1 -2.555 0.378 0.788 0.00 0.00 +0.144 C BRANCH 29 30 ATOM 30 C LIG 1 -3.548 1.302 1.546 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -5.001 0.937 1.211 0.00 0.00 +0.009 C BRANCH 30 33 ATOM 32 C LIG 1 -3.545 3.472 0.076 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -3.306 2.825 1.432 0.00 0.00 +0.002 C ENDBRANCH 30 33 ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 N LIG 1 -2.661 0.524 -0.682 0.00 0.00 -0.303 NA ATOM 35 H LIG 1 -1.939 1.194 -0.972 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -2.472 -0.728 -1.426 0.00 0.00 +0.054 C ATOM 37 C LIG 1 -2.832 -0.482 -2.896 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -2.814 -1.778 -3.714 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -1.896 -2.856 -3.136 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -0.674 -2.249 -2.464 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -1.046 -1.299 -1.321 0.00 0.00 +0.019 C ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 10