REMARK Name = BDB064643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.796 -0.739 0.208 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.303 0.091 -0.772 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.920 0.527 -1.454 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.090 -1.181 1.110 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.202 -1.307 2.452 0.00 0.00 +0.225 C ATOM 6 N LIG 1 3.818 -1.802 1.224 0.00 0.00 -0.287 N ATOM 7 C LIG 1 3.299 -1.059 0.071 0.00 0.00 +0.164 C ATOM 8 C LIG 1 3.542 -2.000 -1.105 0.00 0.00 +0.065 C ATOM 9 C LIG 1 3.367 -3.385 -0.483 0.00 0.00 +0.134 C ATOM 10 C LIG 1 3.955 -3.217 0.919 0.00 0.00 +0.140 C ATOM 11 O LIG 1 4.704 -2.041 3.307 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 4.027 -4.370 -1.258 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 4.986 -4.201 -1.226 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 3.998 0.165 2.735 0.00 0.00 +0.194 C BRANCH 14 18 ATOM 15 C LIG 1 7.381 2.879 0.392 0.00 0.00 +0.091 C ATOM 16 C LIG 1 6.689 2.042 1.388 0.00 0.00 +0.169 A ATOM 17 N LIG 1 5.416 1.568 1.195 0.00 0.00 -0.196 NA ATOM 18 C LIG 1 5.202 0.899 2.308 0.00 0.00 +0.236 A ATOM 19 O LIG 1 6.255 0.938 3.176 0.00 0.00 -0.338 OA ATOM 20 N LIG 1 7.247 1.704 2.557 0.00 0.00 -0.062 NA ENDBRANCH 14 18 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -0.090 0.543 -0.776 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 C LIG 1 -0.114 1.859 -1.577 0.00 0.00 +0.231 C ATOM 23 O LIG 1 0.796 2.190 -2.336 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -1.202 2.662 -1.407 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -2.020 2.377 -0.882 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -1.256 3.514 -1.951 0.00 0.00 +0.145 HD ENDBRANCH 21 22 BRANCH 21 27 ATOM 27 C LIG 1 -1.010 -0.518 -1.405 0.00 0.00 +0.067 C BRANCH 27 28 ATOM 28 C LIG 1 -2.477 -0.288 -1.129 0.00 0.00 -0.045 A ATOM 29 C LIG 1 -3.333 0.157 -2.141 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.683 0.402 -1.868 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.215 0.200 -0.584 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -4.348 -0.261 0.418 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -2.996 -0.503 0.152 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 -6.638 0.463 -0.299 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -7.024 1.248 0.801 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -8.372 1.501 1.072 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.360 0.971 0.245 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.001 0.190 -0.850 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.653 -0.062 -1.118 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 2 21 TORSDOF 9