REMARK Name = BDB019889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.568 2.060 -0.128 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.473 1.266 -0.624 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.596 -0.074 -0.236 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.341 -0.624 0.646 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.390 0.158 1.157 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.496 1.499 0.758 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -0.813 5.214 -1.825 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -0.929 5.721 -0.586 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -0.838 4.647 0.228 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -0.686 3.448 -0.533 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -0.666 3.861 -1.848 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -0.891 4.761 1.728 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -2.075 4.304 2.225 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -0.748 6.034 2.185 0.00 0.00 -0.164 F ATOM 15 F LIG 1 0.083 4.026 2.332 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -2.268 6.432 -3.397 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -0.848 6.101 -2.973 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.716 -0.873 -0.809 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.114 -1.985 -0.096 0.00 0.00 -0.307 N ATOM 20 H LIG 1 1.773 -2.118 0.846 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.253 -0.515 -1.852 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.269 -2.756 -0.496 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 4.474 -2.242 0.243 0.00 0.00 -0.014 A ATOM 24 C LIG 1 5.354 -1.395 -0.316 0.00 0.00 +0.094 A ATOM 25 N LIG 1 6.468 -0.939 0.371 0.00 0.00 -0.318 N ATOM 26 C LIG 1 7.361 -0.009 -0.300 0.00 0.00 +0.152 C ATOM 27 C LIG 1 6.748 -1.331 1.678 0.00 0.00 +0.251 A ATOM 28 O LIG 1 7.716 -0.963 2.337 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 5.775 -2.276 2.291 0.00 0.00 +0.070 A ATOM 30 C LIG 1 4.707 -2.696 1.600 0.00 0.00 +0.012 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -2.405 -0.453 2.101 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.314 -1.331 1.397 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.127 -2.714 1.286 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.164 -3.408 1.785 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.328 -4.385 1.527 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.206 -3.137 0.497 0.00 0.00 -0.314 N ATOM 37 C LIG 1 -4.930 -2.039 0.061 0.00 0.00 +0.107 A ATOM 38 C LIG 1 -4.404 -0.942 0.626 0.00 0.00 +0.107 A BRANCH 36 39 ATOM 39 C LIG 1 -4.215 -4.397 -0.234 0.00 0.00 +0.090 C ATOM 40 C LIG 1 -4.422 -5.712 0.471 0.00 0.00 +0.027 C ATOM 41 C LIG 1 -5.483 -5.182 -0.446 0.00 0.00 +0.027 C ENDBRANCH 36 39 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9