REMARK Name = BDB015998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.147 -0.497 0.005 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.811 -0.661 -0.016 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.272 -1.386 -1.018 0.00 0.00 +0.131 A ATOM 4 C LIG 1 1.059 -1.985 -2.000 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.417 -1.755 -1.884 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.984 -1.018 -0.908 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.673 1.335 2.208 0.00 0.00 -0.014 A ATOM 8 C LIG 1 4.109 0.565 1.175 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.723 0.312 1.098 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.913 0.867 2.106 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.455 1.636 3.138 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.828 1.869 3.186 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.592 0.831 1.745 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.278 1.338 2.054 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.155 2.523 2.677 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.833 2.669 2.807 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.104 1.584 2.265 0.00 0.00 +0.020 A ATOM 18 C LIG 1 7.082 0.736 1.786 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 0.530 -2.809 -3.070 0.00 0.00 +0.024 A ATOM 20 C LIG 1 0.951 -2.767 -4.384 0.00 0.00 +0.116 A ATOM 21 N LIG 1 0.196 -3.687 -5.055 0.00 0.00 -0.274 N ATOM 22 C LIG 1 0.265 -4.012 -6.459 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -0.693 -4.322 -4.272 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -0.480 -3.798 -3.062 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.137 -1.547 -1.026 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.478 -1.379 -1.970 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.974 -0.951 -0.025 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -3.485 -1.208 -0.287 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -3.693 0.261 0.019 0.00 0.00 -0.023 C ATOM 30 C LIG 1 -4.782 1.015 -0.698 0.00 0.00 +0.027 C ATOM 31 C LIG 1 -5.611 0.904 0.615 0.00 0.00 +0.077 C ATOM 32 C LIG 1 -4.274 0.632 1.366 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -2.244 0.563 -0.263 0.00 0.00 +0.029 C BRANCH 31 34 ATOM 34 N LIG 1 -6.382 2.120 1.023 0.00 0.00 -0.192 NA ATOM 35 H LIG 1 -5.850 2.988 0.915 0.00 0.00 +0.148 HD BRANCH 34 36 ATOM 36 S LIG 1 -7.220 2.209 2.492 0.00 0.00 +0.027 S ATOM 37 O LIG 1 -6.626 3.313 3.212 0.00 0.00 -0.158 OA ATOM 38 O LIG 1 -7.304 0.880 3.052 0.00 0.00 -0.158 OA ATOM 39 C LIG 1 -8.832 2.701 1.925 0.00 0.00 +0.214 C ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7