REMARK Name = BDB061273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.518 -3.930 2.073 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -3.077 -2.815 1.826 0.00 0.00 +0.197 A ATOM 3 C LIG 1 -1.802 -2.274 2.354 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -1.452 -0.961 2.012 0.00 0.00 +0.151 A ATOM 5 C LIG 1 -0.252 -0.382 2.474 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.582 -1.155 3.293 0.00 0.00 +0.128 A ATOM 7 C LIG 1 0.246 -2.463 3.643 0.00 0.00 +0.092 A ATOM 8 O LIG 1 -2.247 -0.172 1.212 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -3.402 -0.701 0.674 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -0.944 -3.020 3.171 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -3.851 -1.934 0.936 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -4.133 0.226 -0.211 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.245 1.582 0.133 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.915 2.478 -0.703 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.472 2.026 -1.891 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -5.367 0.690 -2.262 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.696 -0.206 -1.423 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -6.115 2.934 -2.677 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.455 2.479 -3.465 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 1.739 -0.605 3.772 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 2.260 -1.284 4.231 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 -1.251 -4.303 3.523 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -0.570 -4.678 4.103 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 0.138 1.032 2.084 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 1.079 1.095 0.955 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 0.464 0.772 -0.340 0.00 0.00 +0.100 C ATOM 27 C LIG 1 1.464 0.822 -1.531 0.00 0.00 +0.100 C ATOM 28 N LIG 1 2.712 1.592 -1.320 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 2.403 2.750 -0.462 0.00 0.00 +0.100 C ATOM 30 C LIG 1 1.725 2.421 0.894 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 3.768 0.763 -0.712 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 C LIG 1 4.375 -0.222 -1.690 0.00 0.00 -0.031 A ATOM 33 C LIG 1 4.417 -1.588 -1.397 0.00 0.00 +0.024 A ATOM 34 C LIG 1 4.995 -2.448 -2.318 0.00 0.00 +0.111 A ATOM 35 N LIG 1 5.530 -2.047 -3.491 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 5.479 -0.724 -3.756 0.00 0.00 +0.111 A ATOM 37 C LIG 1 4.925 0.214 -2.900 0.00 0.00 +0.024 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8