REMARK Name = BDB007019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.496 -0.235 1.401 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.989 -1.051 0.395 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.347 -1.356 0.178 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.482 -2.199 -0.918 0.00 0.00 -0.001 A ATOM 5 C LIG 1 3.744 -2.604 -1.291 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.856 -2.211 -0.634 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 4.702 -1.388 0.443 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.153 -2.561 -1.519 0.00 0.00 +0.009 C ATOM 9 C LIG 1 1.082 -2.227 -3.012 0.00 0.00 +0.017 C ATOM 10 C LIG 1 0.835 -4.042 -1.286 0.00 0.00 +0.017 C ATOM 11 C LIG 1 3.458 -0.936 0.882 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.200 -1.654 -0.697 0.00 0.00 +0.124 C ATOM 13 O LIG 1 1.194 0.312 2.259 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.029 -0.024 1.440 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.711 4.466 1.333 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.365 3.090 1.462 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.832 3.258 1.452 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.095 3.750 0.598 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.500 1.943 1.445 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.998 0.994 0.315 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.511 0.808 0.310 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -0.879 2.154 0.322 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.788 -0.352 0.324 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -5.231 -0.211 0.054 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -5.537 0.065 -1.368 0.00 0.00 +0.112 C ATOM 26 C LIG 1 -6.059 -1.160 -2.139 0.00 0.00 +0.175 C ATOM 27 O LIG 1 -7.247 -1.724 -1.570 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -7.344 -1.522 -0.154 0.00 0.00 +0.175 C ATOM 29 C LIG 1 -5.970 -1.405 0.521 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 5.963 -0.942 1.148 0.00 0.00 +0.093 C BRANCH 30 31 ATOM 31 C LIG 1 6.412 0.442 0.745 0.00 0.00 -0.006 A ATOM 32 C LIG 1 6.218 1.532 1.601 0.00 0.00 +0.130 A ATOM 33 F LIG 1 5.641 1.346 2.797 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.609 2.815 1.240 0.00 0.00 +0.077 A ATOM 35 C LIG 1 7.203 3.012 0.001 0.00 0.00 +0.126 A ATOM 36 F LIG 1 7.584 4.244 -0.359 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.406 1.950 -0.875 0.00 0.00 +0.039 A ATOM 38 C LIG 1 7.009 0.664 -0.506 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6