REMARK Name = BDB007539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.187 3.736 -0.098 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.089 2.543 -0.144 0.00 0.00 +0.244 C ATOM 3 N LIG 1 -1.386 2.065 -0.127 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -1.520 1.097 0.134 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.991 1.518 -0.170 0.00 0.00 +0.038 A ATOM 6 C LIG 1 2.237 1.849 0.383 0.00 0.00 +0.036 A ATOM 7 C LIG 1 3.294 0.927 0.417 0.00 0.00 +0.028 A ATOM 8 C LIG 1 3.084 -0.318 -0.187 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.851 -0.654 -0.758 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.802 0.261 -0.749 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 N LIG 1 4.520 1.346 0.929 0.00 0.00 -0.343 N ATOM 12 H LIG 1 4.430 2.097 1.609 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 5.593 0.405 1.252 0.00 0.00 +0.117 C BRANCH 13 14 ATOM 14 C LIG 1 6.557 0.238 0.058 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 N LIG 1 7.685 -0.668 0.346 0.00 0.00 -0.297 NA ATOM 16 C LIG 1 8.784 -0.444 -0.621 0.00 0.00 +0.112 C ATOM 17 C LIG 1 9.738 -1.645 -0.684 0.00 0.00 +0.175 C ATOM 18 O LIG 1 9.100 -2.836 -1.167 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 7.691 -2.861 -0.911 0.00 0.00 +0.175 C ATOM 20 C LIG 1 7.293 -2.095 0.362 0.00 0.00 +0.112 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 21 ATOM 21 C LIG 1 -2.493 2.993 0.024 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -3.879 2.346 -0.157 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -4.843 3.385 -0.373 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -4.881 3.932 0.430 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -4.263 1.494 1.082 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -5.450 0.627 1.005 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.282 -0.489 0.059 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.498 -1.388 -0.028 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -7.765 -0.926 0.372 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -8.883 -1.763 0.253 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.749 -3.043 -0.284 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.499 -3.497 -0.700 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.907 0.444 0.988 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -6.380 -2.674 -0.576 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.695 1.346 0.707 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 10