REMARK Name = BDB052719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.405 -0.407 1.869 0.00 0.00 +0.135 A ATOM 2 C LIG 1 1.558 -0.554 1.154 0.00 0.00 +0.079 A ATOM 3 C LIG 1 2.437 -0.733 2.227 0.00 0.00 +0.102 A ATOM 4 C LIG 1 3.724 -0.914 1.664 0.00 0.00 +0.051 A ATOM 5 C LIG 1 3.736 -0.850 0.252 0.00 0.00 +0.077 A ATOM 6 N LIG 1 1.999 -0.719 3.475 0.00 0.00 -0.172 NA ATOM 7 S LIG 1 2.138 -0.579 -0.493 0.00 0.00 -0.079 S ATOM 8 N LIG 1 0.652 -0.501 3.242 0.00 0.00 -0.262 N ATOM 9 H LIG 1 -0.016 -0.424 4.007 0.00 0.00 +0.190 HD ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.968 -0.029 2.116 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -0.848 -0.196 1.319 0.00 0.00 -0.266 N ATOM 12 H LIG 1 -0.910 -0.109 0.311 0.00 0.00 +0.157 HD ATOM 13 O LIG 1 -1.950 -0.015 3.345 0.00 0.00 -0.270 OA BRANCH 10 17 ATOM 14 C LIG 1 -5.752 0.610 0.090 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -4.737 -0.168 -0.492 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -3.507 -0.392 0.143 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -3.255 0.173 1.393 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -4.251 0.933 2.006 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -5.475 1.147 1.357 0.00 0.00 +0.024 A BRANCH 14 24 ATOM 20 C LIG 1 -10.434 0.593 -2.752 0.00 0.00 +0.105 C ATOM 21 N LIG 1 -9.556 1.424 -1.934 0.00 0.00 -0.302 NA ATOM 22 C LIG 1 -9.444 0.873 -0.566 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -8.155 1.288 0.180 0.00 0.00 +0.120 C ATOM 24 N LIG 1 -6.961 0.822 -0.547 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -7.101 0.686 -2.008 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -8.226 1.599 -2.554 0.00 0.00 +0.103 C ENDBRANCH 14 24 ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 4.869 -0.985 -0.662 0.00 0.00 +0.251 C ATOM 28 N LIG 1 6.112 -0.892 -0.068 0.00 0.00 -0.304 N ATOM 29 H LIG 1 6.186 -0.547 0.877 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 4.760 -1.154 -1.875 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 7.316 -0.898 -0.863 0.00 0.00 +0.104 C ATOM 32 C LIG 1 8.555 -1.074 -0.029 0.00 0.00 -0.024 A ATOM 33 C LIG 1 9.570 -0.215 -0.467 0.00 0.00 -0.042 A ATOM 34 C LIG 1 10.822 -0.224 0.125 0.00 0.00 +0.004 A ATOM 35 C LIG 1 11.048 -1.108 1.182 0.00 0.00 +0.000 A ATOM 36 C LIG 1 10.035 -1.975 1.619 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.114 0.601 -1.636 0.00 0.00 +0.037 C ATOM 38 C LIG 1 8.780 -1.968 1.007 0.00 0.00 +0.006 A ATOM 39 C LIG 1 7.590 0.473 -1.515 0.00 0.00 +0.032 C ENDBRANCH 28 31 ENDBRANCH 5 27 TORSDOF 5