REMARK Name = BDB029721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.736 0.769 0.023 0.00 0.00 -0.314 N ATOM 2 C LIG 1 -1.694 0.151 0.942 0.00 0.00 +0.123 C ATOM 3 C LIG 1 -3.038 0.207 0.208 0.00 0.00 +0.073 C ATOM 4 C LIG 1 -3.507 -1.156 -0.251 0.00 0.00 +0.227 C ATOM 5 O LIG 1 -2.817 -2.071 -0.663 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 -4.861 -1.191 -0.154 0.00 0.00 -0.256 N ATOM 7 H LIG 1 -5.407 -2.001 -0.404 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 -5.345 -0.218 0.654 0.00 0.00 +0.220 C ATOM 9 O LIG 1 -6.498 -0.129 1.040 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.214 0.679 1.069 0.00 0.00 +0.114 C ATOM 11 C LIG 1 -2.791 1.110 -1.010 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -1.312 0.892 -1.311 0.00 0.00 +0.107 C ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 3.346 -0.068 0.210 0.00 0.00 +0.077 A ATOM 14 C LIG 1 2.676 0.222 -0.966 0.00 0.00 +0.127 A ATOM 15 N LIG 1 1.347 0.494 -1.035 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 0.614 0.471 0.102 0.00 0.00 +0.121 A ATOM 17 C LIG 1 1.229 0.203 1.326 0.00 0.00 +0.044 A ATOM 18 C LIG 1 2.598 -0.072 1.383 0.00 0.00 +0.020 A BRANCH 13 19 ATOM 19 C LIG 1 4.795 -0.358 0.262 0.00 0.00 +0.340 C ATOM 20 O LIG 1 5.391 -0.609 1.297 0.00 0.00 -0.245 OA BRANCH 19 22 ATOM 21 C LIG 1 6.743 -0.579 -1.007 0.00 0.00 +0.280 C ATOM 22 O LIG 1 5.341 -0.306 -0.978 0.00 0.00 -0.464 OA ENDBRANCH 19 22 ENDBRANCH 13 19 ENDBRANCH 1 16 TORSDOF 3