REMARK Name = BDB022226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.774 0.262 -0.467 0.00 0.00 +0.042 A ATOM 2 C UNK A 0 -0.523 1.069 -0.528 0.00 0.00 +0.021 A ATOM 3 C UNK A 0 -0.536 2.342 -1.131 0.00 0.00 +0.054 A ATOM 4 C UNK A 0 0.643 3.104 -1.141 0.00 0.00 +0.028 A ATOM 5 C UNK A 0 1.828 2.605 -0.594 0.00 0.00 +0.025 A ATOM 6 C UNK A 0 1.876 1.331 -0.029 0.00 0.00 +0.032 A ATOM 7 N UNK A 0 -1.731 2.821 -1.745 0.00 0.00 -0.311 N ATOM 8 C UNK A 0 -1.754 4.126 -2.388 0.00 0.00 +0.152 C ATOM 9 C UNK A 0 -2.876 2.047 -1.803 0.00 0.00 +0.253 A ATOM 10 O UNK A 0 -3.916 2.378 -2.370 0.00 0.00 -0.268 OA ATOM 11 C UNK A 0 0.697 0.578 -0.012 0.00 0.00 +0.035 A ATOM 12 C UNK A 0 -2.845 0.743 -1.111 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N ALA A 1 -1.750 -0.932 0.255 0.00 0.00 -0.338 N ATOM 14 H ALA A 1 -1.156 -0.860 1.080 0.00 0.00 +0.146 HD BRANCH 13 16 ATOM 15 CB ALA A 1 -3.727 -1.334 1.656 0.00 0.00 +0.030 C ATOM 16 CA ALA A 1 -2.882 -1.836 0.484 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C ALA A 1 -2.349 -3.257 0.758 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 -3.404 -4.209 0.860 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 -3.807 -4.293 -0.022 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N UNK A 0 3.109 0.839 0.440 0.00 0.00 -0.313 N ATOM 21 H UNK A 0 3.737 1.577 0.753 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C UNK A 0 3.615 -0.477 0.547 0.00 0.00 +0.053 A ATOM 23 C UNK A 0 4.559 -0.817 1.535 0.00 0.00 +0.110 A ATOM 24 C UNK A 0 4.978 -2.139 1.614 0.00 0.00 +0.148 A ATOM 25 CL UNK A 0 6.127 -2.696 2.771 0.00 0.00 -0.061 Cl ATOM 26 N UNK A 0 4.538 -3.129 0.806 0.00 0.00 -0.242 NA ATOM 27 C UNK A 0 3.636 -2.787 -0.132 0.00 0.00 +0.114 A ATOM 28 C UNK A 0 3.152 -1.499 -0.292 0.00 0.00 +0.044 A BRANCH 23 29 ATOM 29 C UNK A 0 5.072 0.168 2.433 0.00 0.00 +0.104 C ATOM 30 N UNK A 0 5.469 1.012 3.123 0.00 0.00 -0.191 NA ENDBRANCH 23 29 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 7