REMARK Name = BDB056699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.388 -0.833 -0.353 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.629 -1.436 -0.136 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.848 -0.997 -0.601 0.00 0.00 +0.057 A ATOM 4 C LIG 1 3.845 -1.795 -0.204 0.00 0.00 +0.048 A ATOM 5 N LIG 1 5.143 -1.551 -0.550 0.00 0.00 -0.324 N ATOM 6 H LIG 1 5.891 -2.165 -0.254 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 5.518 -0.474 -1.325 0.00 0.00 +0.253 A ATOM 8 C LIG 1 4.410 0.449 -1.755 0.00 0.00 +0.023 A ATOM 9 O LIG 1 6.688 -0.297 -1.648 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 3.377 -2.946 0.635 0.00 0.00 +0.023 C ATOM 11 C LIG 1 3.672 -4.294 -0.030 0.00 0.00 +0.019 C ATOM 12 C LIG 1 3.969 -2.902 2.047 0.00 0.00 +0.019 C ATOM 13 C LIG 1 3.139 0.156 -1.408 0.00 0.00 +0.034 A ATOM 14 C LIG 1 1.849 -2.663 0.664 0.00 0.00 +0.126 C ATOM 15 O LIG 1 0.241 0.195 -1.017 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 -0.809 -1.563 0.308 0.00 0.00 +0.181 C BRANCH 16 23 ATOM 17 C LIG 1 -3.688 -2.563 -3.042 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -3.702 -2.052 -1.602 0.00 0.00 +0.065 C ATOM 19 N LIG 1 -3.647 -3.195 -0.678 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 -2.753 -3.665 -0.817 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -3.710 -2.719 0.718 0.00 0.00 +0.101 C ATOM 22 C LIG 1 -3.146 -1.287 1.012 0.00 0.00 +0.085 C ATOM 23 N LIG 1 -2.096 -0.889 0.042 0.00 0.00 -0.287 NA ATOM 24 C LIG 1 -2.537 -1.048 -1.363 0.00 0.00 +0.103 C BRANCH 22 25 ATOM 25 C LIG 1 -4.311 -0.231 1.114 0.00 0.00 +0.105 C BRANCH 25 26 ATOM 26 N LIG 1 -4.013 0.970 1.941 0.00 0.00 -0.291 NA ATOM 27 C LIG 1 -5.221 1.764 2.290 0.00 0.00 +0.080 C ATOM 28 C LIG 1 -6.364 0.963 2.924 0.00 0.00 +0.026 C ATOM 29 C LIG 1 -5.744 2.616 1.109 0.00 0.00 +0.178 C ATOM 30 O LIG 1 -4.744 3.399 0.447 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -3.471 3.328 1.094 0.00 0.00 +0.178 C ATOM 32 C LIG 1 -3.011 1.859 1.275 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -1.717 1.838 2.090 0.00 0.00 +0.026 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 16 23 ENDBRANCH 1 16 BRANCH 8 34 ATOM 34 C LIG 1 4.787 1.635 -2.594 0.00 0.00 +0.075 C BRANCH 34 35 ATOM 35 C LIG 1 5.196 2.836 -1.768 0.00 0.00 -0.043 A ATOM 36 C LIG 1 6.544 3.045 -1.435 0.00 0.00 +0.007 A ATOM 37 C LIG 1 6.917 4.141 -0.657 0.00 0.00 +0.038 A ATOM 38 C LIG 1 5.944 5.025 -0.207 0.00 0.00 +0.123 A ATOM 39 F LIG 1 6.304 6.077 0.541 0.00 0.00 -0.205 F ATOM 40 C LIG 1 4.604 4.833 -0.518 0.00 0.00 +0.038 A ATOM 41 C LIG 1 4.228 3.737 -1.296 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6