REMARK Name = BDB024927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.428 -2.130 0.441 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.298 -2.012 -0.389 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.035 -3.069 -1.388 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.215 -4.212 -0.776 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.413 -2.508 -2.662 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.111 -1.806 -2.355 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.268 -0.838 -1.218 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.315 0.197 -1.065 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.219 0.472 -1.836 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.386 1.510 -1.288 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.330 1.962 -0.195 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.409 1.104 -0.025 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.429 1.028 0.921 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.366 -0.007 0.775 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.321 -0.946 -0.270 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.834 -1.306 1.252 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.066 3.071 0.715 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.787 2.638 1.921 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.669 3.675 2.369 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -0.993 4.920 2.526 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -0.538 5.466 1.173 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -0.451 4.377 0.102 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 7.250 -3.488 1.063 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.090 -3.313 0.248 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -1.650 2.070 -1.866 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.909 1.859 -1.011 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -3.266 0.436 -0.601 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -3.967 0.232 0.603 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -4.332 -1.055 1.034 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -3.995 -2.170 0.239 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.357 -3.457 0.669 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -5.044 -3.641 1.870 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.378 -2.541 2.655 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.306 -1.967 -0.965 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -5.024 -1.256 2.240 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -2.951 -0.681 -1.382 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 37 ATOM 37 C LIG 1 -4.055 2.546 -1.726 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -4.493 3.655 -1.455 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.556 1.862 -2.772 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -5.289 2.419 -3.106 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 26 37 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7