REMARK Name = BDB027045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.104 -1.026 1.772 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.956 -1.549 3.196 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.633 -0.700 4.266 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.506 -1.204 5.562 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.716 -2.559 5.808 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.060 -3.411 4.761 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.186 -2.909 3.465 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -3.439 -0.391 1.630 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.338 0.595 1.887 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.019 -0.502 0.289 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.362 0.370 -0.791 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -5.491 0.079 -4.538 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.875 1.025 -3.584 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -5.183 1.122 -2.374 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.098 0.276 -2.107 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -3.721 -0.674 -3.066 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -4.412 -0.771 -4.276 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -6.775 -0.105 -6.785 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -6.201 -0.021 -5.780 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.974 -0.025 1.405 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -1.196 1.192 1.416 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.347 -0.549 1.033 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.469 0.203 0.544 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.514 -0.689 0.319 0.00 0.00 +0.049 A ATOM 25 C LIG 1 3.769 -0.286 -0.167 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.012 1.070 -0.451 0.00 0.00 +0.032 A ATOM 27 C LIG 1 2.956 1.966 -0.225 0.00 0.00 +0.024 A ATOM 28 N LIG 1 2.059 -1.939 0.660 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.615 -2.783 0.608 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 1.702 1.560 0.264 0.00 0.00 +0.012 A ATOM 31 C LIG 1 0.758 -1.871 1.083 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 N LIG 1 5.230 1.496 -0.932 0.00 0.00 -0.330 N ATOM 33 C LIG 1 5.509 2.863 -1.365 0.00 0.00 +0.105 C ATOM 34 C LIG 1 6.868 2.759 -2.054 0.00 0.00 +0.020 C ATOM 35 C LIG 1 7.552 1.640 -1.289 0.00 0.00 +0.020 C ATOM 36 C LIG 1 6.417 0.651 -1.033 0.00 0.00 +0.105 C ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9