REMARK Name = BDB016090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.207 4.048 -0.043 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -0.118 2.692 -0.093 0.00 0.00 +0.133 A ATOM 3 N LIG 1 0.816 1.744 0.119 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 2.078 2.124 0.401 0.00 0.00 +0.162 A ATOM 5 N LIG 1 2.480 3.403 0.474 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 1.529 4.332 0.254 0.00 0.00 +0.127 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -2.568 8.300 -1.408 0.00 0.00 +0.075 C ATOM 8 C LIG 1 -2.057 7.016 -0.867 0.00 0.00 +0.099 A ATOM 9 S LIG 1 -0.440 6.518 -1.158 0.00 0.00 -0.051 S ATOM 10 C LIG 1 -0.786 5.098 -0.246 0.00 0.00 +0.137 A ATOM 11 N LIG 1 -2.025 5.059 0.211 0.00 0.00 -0.141 NA ATOM 12 N LIG 1 -2.758 6.170 -0.143 0.00 0.00 -0.146 NA ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 C LIG 1 3.070 1.062 0.654 0.00 0.00 +0.020 A ATOM 14 C LIG 1 2.668 -0.278 0.826 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.585 -1.314 1.059 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.946 -1.005 1.126 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.375 0.313 0.968 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.447 1.333 0.736 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 3.102 -2.672 1.231 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.757 -3.812 0.816 0.00 0.00 +0.116 A ATOM 21 N LIG 1 2.940 -4.860 1.131 0.00 0.00 -0.274 N ATOM 22 C LIG 1 3.184 -6.258 0.877 0.00 0.00 +0.172 C ATOM 23 N LIG 1 1.794 -4.486 1.731 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 1.896 -3.155 1.789 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 4 13 BRANCH 2 25 ATOM 25 N LIG 1 -1.408 2.295 -0.469 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.104 2.888 -0.009 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.817 0.889 -0.504 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -1.748 0.202 0.861 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -2.342 -1.209 0.821 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -2.051 -1.988 -0.474 0.00 0.00 +0.076 C ATOM 31 C LIG 1 -0.908 -1.376 -1.285 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -1.125 0.101 -1.627 0.00 0.00 +0.024 C BRANCH 30 33 ATOM 33 N LIG 1 -3.284 -2.022 -1.284 0.00 0.00 -0.192 NA ATOM 34 H LIG 1 -3.601 -1.167 -1.740 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 S LIG 1 -3.662 -3.392 -2.174 0.00 0.00 +0.027 S ATOM 36 O LIG 1 -4.688 -2.979 -3.105 0.00 0.00 -0.158 OA ATOM 37 O LIG 1 -2.434 -4.007 -2.622 0.00 0.00 -0.158 OA ATOM 38 C LIG 1 -4.418 -4.426 -0.938 0.00 0.00 +0.214 C ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 2 25 TORSDOF 7