REMARK Name = BDB062648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 0.354 -1.968 -0.510 0.00 0.00 +0.202 C ENDROOT BRANCH 1 2 ATOM 2 C UNK 1 -1.003 -1.552 -0.011 0.00 0.00 +0.012 A ATOM 3 C UNK 1 -1.579 -0.235 0.003 0.00 0.00 +0.006 A ATOM 4 C UNK 1 -2.859 -0.343 0.552 0.00 0.00 +0.047 A ATOM 5 C UNK 1 -3.711 0.756 0.721 0.00 0.00 +0.026 A ATOM 6 C UNK 1 -3.244 2.009 0.318 0.00 0.00 +0.002 A ATOM 7 C UNK 1 -1.975 2.154 -0.234 0.00 0.00 +0.001 A ATOM 8 N UNK 1 -3.062 -1.667 0.854 0.00 0.00 -0.360 N ATOM 9 H UNK 1 -3.911 -2.038 1.258 0.00 0.00 +0.165 HD ATOM 10 C UNK 1 -1.137 1.045 -0.397 0.00 0.00 +0.010 A ATOM 11 C UNK 1 -1.958 -2.403 0.523 0.00 0.00 +0.090 A ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 C UNK 1 3.101 0.349 0.324 0.00 0.00 +0.074 A ATOM 13 N UNK 1 2.125 -0.182 -0.517 0.00 0.00 -0.244 NA ATOM 14 C UNK 1 1.491 -1.169 0.095 0.00 0.00 +0.112 A ATOM 15 S UNK 1 2.049 -1.526 1.685 0.00 0.00 -0.077 S ATOM 16 C UNK 1 3.198 -0.263 1.558 0.00 0.00 +0.072 A BRANCH 12 17 ATOM 17 C UNK 1 3.929 1.489 -0.176 0.00 0.00 +0.211 C BRANCH 17 18 ATOM 18 O UNK 1 3.315 2.139 -1.288 0.00 0.00 -0.389 OA ATOM 19 H UNK 1 2.722 1.463 -1.671 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 1 14 BRANCH 1 20 ATOM 20 O UNK 1 0.433 -1.833 -1.935 0.00 0.00 -0.380 OA ATOM 21 H UNK 1 0.654 -0.896 -2.087 0.00 0.00 +0.211 HD ENDBRANCH 1 20 TORSDOF 5