REMARK Name = BDB024086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.345 -0.246 -0.090 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.362 -0.253 -1.611 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.069 -1.420 -2.336 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.048 -1.405 -3.730 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.321 -0.225 -4.419 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.617 0.940 -3.714 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.639 0.929 -2.319 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.087 -0.344 0.542 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.133 0.050 -0.278 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.900 0.277 -1.238 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.204 -0.698 1.718 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.506 0.110 0.036 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.039 -0.180 1.291 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.420 -0.090 1.517 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.294 0.290 0.492 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.756 0.582 -0.766 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.377 0.493 -0.990 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.722 0.384 0.744 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.715 0.194 -0.196 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.902 0.355 0.460 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.226 0.246 -0.102 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.759 0.639 1.766 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.434 0.652 1.938 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.162 -1.349 0.469 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.867 -1.489 1.440 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.608 -1.121 0.400 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.901 -0.388 2.843 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.186 -0.060 1.372 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.680 0.123 1.132 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -6.604 -0.894 1.426 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.968 -0.708 1.190 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -8.421 0.496 0.657 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -10.101 0.725 0.366 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -7.521 1.515 0.357 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.156 1.329 0.592 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8