REMARK Name = BDB015852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.402 0.374 -0.179 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.067 0.201 -0.239 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.730 1.272 -0.056 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.203 2.537 0.213 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.178 2.605 0.254 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.998 1.555 0.058 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.500 -1.829 -0.545 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.668 -0.715 -0.345 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.261 -0.809 -0.393 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.712 -2.078 -0.654 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.523 -3.196 -0.858 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.910 -3.071 -0.805 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.090 -0.321 0.607 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.970 -1.026 0.034 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.193 -2.042 -0.818 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.963 -2.455 -1.136 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.948 -1.707 -0.494 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.646 -0.787 0.262 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.012 3.716 0.460 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.735 4.983 -0.012 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.743 5.787 0.438 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.898 7.203 0.204 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.664 5.133 1.167 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.213 3.876 1.189 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.132 1.091 -0.118 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.499 1.795 -0.757 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.612 -0.261 -0.452 0.00 0.00 +0.074 C ATOM 28 C LIG 1 -4.081 -0.154 -0.877 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -4.673 -1.529 -1.161 0.00 0.00 +0.111 C ATOM 30 N LIG 1 -4.334 -2.506 -0.105 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 -3.723 -1.952 1.115 0.00 0.00 +0.111 C ATOM 32 C LIG 1 -2.442 -1.214 0.746 0.00 0.00 +0.039 C BRANCH 30 33 ATOM 33 S LIG 1 -5.319 -3.872 0.037 0.00 0.00 +0.029 S ATOM 34 O LIG 1 -5.737 -4.256 -1.294 0.00 0.00 -0.158 OA ATOM 35 O LIG 1 -4.661 -4.811 0.920 0.00 0.00 -0.158 OA ATOM 36 C LIG 1 -6.743 -3.228 0.896 0.00 0.00 +0.215 C ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6