REMARK Name = BDB005937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.181 -1.958 -0.443 0.00 0.00 +0.242 A ATOM 2 C LIG 1 0.000 -1.562 0.169 0.00 0.00 +0.132 A ATOM 3 C LIG 1 -0.743 -2.442 0.943 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -1.875 -1.839 1.424 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.857 -0.616 0.945 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.303 -3.751 1.135 0.00 0.00 +0.061 A ATOM 7 C LIG 1 0.884 -4.083 0.498 0.00 0.00 +0.115 A ATOM 8 N LIG 1 -0.702 -0.378 0.230 0.00 0.00 -0.307 N ATOM 9 N LIG 1 1.602 -3.228 -0.270 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.467 -5.442 0.621 0.00 0.00 +0.201 A ATOM 11 N LIG 1 0.777 -6.460 1.163 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -0.163 -6.502 1.510 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.571 -7.540 1.105 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.272 -8.659 1.488 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.765 -7.177 0.543 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.652 -5.786 0.232 0.00 0.00 -0.053 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.817 0.341 1.111 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -4.023 0.117 0.241 0.00 0.00 +0.132 C ATOM 19 C LIG 1 -5.299 0.713 0.893 0.00 0.00 +0.187 C ATOM 20 O LIG 1 -5.619 0.120 2.164 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -4.453 -0.275 2.903 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -3.201 0.535 2.537 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -3.776 0.692 -1.147 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -3.553 -0.176 -2.229 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.295 0.328 -3.505 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.253 1.704 -3.718 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.464 2.578 -2.655 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.722 2.077 -1.377 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 O LIG 1 1.887 -1.086 -1.237 0.00 0.00 -0.472 OA BRANCH 29 31 ATOM 30 C LIG 1 3.509 -0.916 -2.955 0.00 0.00 +0.052 C ATOM 31 C LIG 1 3.227 -1.481 -1.564 0.00 0.00 +0.175 C BRANCH 31 32 ATOM 32 C LIG 1 4.185 -0.847 -0.557 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.242 -1.456 0.873 0.00 0.00 +0.007 C ATOM 34 C LIG 1 5.750 -1.136 0.869 0.00 0.00 +0.001 C ATOM 35 C LIG 1 5.688 -1.233 -0.669 0.00 0.00 +0.007 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 1 29 BRANCH 8 36 ATOM 36 C LIG 1 -0.296 0.880 -0.374 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.873 1.582 0.355 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.443 2.227 1.690 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.295 3.751 1.639 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.279 4.227 0.303 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.511 5.737 0.307 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.622 3.814 -0.873 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.529 2.621 -0.563 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8