REMARK Name = BDB048005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 0.262 0.100 -0.057 0.00 0.00 +0.169 A ATOM 2 C UNK 1 -0.154 -0.505 -1.242 0.00 0.00 +0.155 A ATOM 3 C UNK 1 -1.498 -0.362 -1.635 0.00 0.00 +0.029 A ATOM 4 C UNK 1 -2.376 0.391 -0.820 0.00 0.00 +0.022 A ATOM 5 C UNK 1 -3.728 0.530 -1.222 0.00 0.00 +0.011 A ATOM 6 C UNK 1 -4.199 -0.056 -2.397 0.00 0.00 +0.001 A ATOM 7 C UNK 1 -3.335 -0.794 -3.195 0.00 0.00 +0.001 A ATOM 8 C UNK 1 -1.825 0.953 0.349 0.00 0.00 +0.138 A ATOM 9 CL UNK 1 -2.749 1.904 1.454 0.00 0.00 -0.061 Cl ATOM 10 C UNK 1 -2.000 -0.944 -2.818 0.00 0.00 +0.012 A ATOM 11 N UNK 1 -0.541 0.833 0.752 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 14 ATOM 12 N UNK 1 1.968 0.581 1.611 0.00 0.00 -0.299 N ATOM 13 H UNK 1 1.203 1.129 2.005 0.00 0.00 +0.150 HD ATOM 14 C UNK 1 1.679 -0.019 0.409 0.00 0.00 +0.267 C ATOM 15 O UNK 1 2.523 -0.646 -0.226 0.00 0.00 -0.268 OA BRANCH 12 16 ATOM 16 C UNK 1 3.323 0.924 2.027 0.00 0.00 +0.225 C BRANCH 16 18 ATOM 17 O UNK 1 5.102 -0.075 3.333 0.00 0.00 -0.249 OA ATOM 18 C UNK 1 4.220 -0.222 2.497 0.00 0.00 +0.322 C BRANCH 18 19 ATOM 19 O UNK 1 4.056 -1.390 1.837 0.00 0.00 -0.480 OA ATOM 20 H UNK 1 3.454 -1.296 1.065 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 2 21 ATOM 21 O UNK 1 0.691 -1.233 -2.045 0.00 0.00 -0.504 OA ATOM 22 H UNK 1 1.593 -1.237 -1.657 0.00 0.00 +0.292 HD ENDBRANCH 2 21 TORSDOF 5