REMARK Name = BDB014097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.931 1.439 -2.210 0.00 0.00 +0.172 C ATOM 2 N LIG 1 4.865 0.797 -1.478 0.00 0.00 -0.272 N ATOM 3 N LIG 1 4.803 0.944 -0.150 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 3.748 0.189 0.227 0.00 0.00 +0.168 A ATOM 5 C LIG 1 3.337 0.180 1.636 0.00 0.00 +0.266 C ATOM 6 N LIG 1 2.238 0.945 1.983 0.00 0.00 -0.304 N ATOM 7 H LIG 1 2.108 0.951 2.986 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 1.811 2.132 1.267 0.00 0.00 +0.160 C ATOM 9 C LIG 1 0.365 2.482 1.544 0.00 0.00 +0.059 A ATOM 10 N LIG 1 0.098 3.616 2.235 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 -1.199 3.937 2.439 0.00 0.00 +0.112 A ATOM 12 C LIG 1 -2.267 3.178 1.990 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.981 2.007 1.295 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.036 1.105 0.752 0.00 0.00 +0.092 A ATOM 15 N LIG 1 -2.778 0.449 -0.336 0.00 0.00 -0.168 NA ATOM 16 N LIG 1 -3.702 -0.475 -0.786 0.00 0.00 -0.225 N ATOM 17 C LIG 1 -3.244 -1.365 -1.856 0.00 0.00 +0.182 C ATOM 18 C LIG 1 -2.156 -2.294 -1.349 0.00 0.00 -0.025 A ATOM 19 C LIG 1 -0.857 -1.797 -1.158 0.00 0.00 +0.018 A ATOM 20 C LIG 1 0.102 -2.558 -0.482 0.00 0.00 +0.037 A ATOM 21 C LIG 1 1.395 -1.940 -0.097 0.00 0.00 +0.248 C ATOM 22 N LIG 1 2.003 -1.206 -1.092 0.00 0.00 -0.278 N ATOM 23 H LIG 1 1.700 -1.363 -2.046 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 1.821 -2.126 1.034 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 -0.210 -3.846 -0.044 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -1.481 -4.372 -0.287 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -2.455 -3.594 -0.922 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -4.899 -0.739 -0.139 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -5.712 -1.595 -0.475 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -5.183 0.088 1.054 0.00 0.00 +0.074 A ATOM 31 C LIG 1 -4.296 0.975 1.511 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -0.646 1.655 1.071 0.00 0.00 +0.035 A ATOM 33 O LIG 1 3.956 -0.416 2.517 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 3.116 -0.399 -0.919 0.00 0.00 +0.084 A ATOM 35 C LIG 1 3.849 0.053 -1.994 0.00 0.00 +0.132 A ENDROOT TORSDOF 0