REMARK Name = BDB029446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.477 -0.673 0.626 0.00 0.00 +0.178 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.228 0.692 0.270 0.00 0.00 -0.376 OA BRANCH 2 3 ATOM 3 C LIG 1 1.164 1.022 0.203 0.00 0.00 +0.188 C BRANCH 3 4 ATOM 4 C LIG 1 1.900 0.324 -0.948 0.00 0.00 +0.188 C BRANCH 4 5 ATOM 5 O LIG 1 2.295 -1.007 -0.593 0.00 0.00 -0.375 OA BRANCH 5 6 ATOM 6 C LIG 1 3.549 -1.071 0.089 0.00 0.00 +0.188 C BRANCH 6 7 ATOM 7 C LIG 1 4.710 -1.186 -0.898 0.00 0.00 +0.188 C BRANCH 7 8 ATOM 8 O LIG 1 5.934 -1.233 -0.169 0.00 0.00 -0.374 OA BRANCH 8 9 ATOM 9 C LIG 1 7.083 -1.501 -0.980 0.00 0.00 +0.201 C BRANCH 9 10 ATOM 10 C LIG 1 7.494 -0.329 -1.880 0.00 0.00 +0.257 C BRANCH 10 11 ATOM 11 O LIG 1 7.768 0.853 -1.124 0.00 0.00 -0.490 OA BRANCH 11 15 ATOM 12 C LIG 1 11.487 1.672 0.603 0.00 0.00 +0.025 A ATOM 13 C LIG 1 11.317 0.472 -0.090 0.00 0.00 +0.026 A ATOM 14 C LIG 1 10.095 0.157 -0.702 0.00 0.00 +0.047 A ATOM 15 C LIG 1 9.012 1.025 -0.590 0.00 0.00 +0.121 A ATOM 16 C LIG 1 9.163 2.198 0.152 0.00 0.00 +0.047 A ATOM 17 C LIG 1 10.383 2.508 0.762 0.00 0.00 +0.026 A BRANCH 12 18 ATOM 18 N LIG 1 12.669 1.919 1.309 0.00 0.00 -0.358 N ATOM 19 H LIG 1 12.828 2.901 1.509 0.00 0.00 +0.142 HD ATOM 20 H LIG 1 13.488 1.471 0.910 0.00 0.00 +0.142 HD ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -1.972 -0.847 0.926 0.00 0.00 +0.131 C BRANCH 21 22 ATOM 22 N LIG 1 -2.752 -0.612 -0.293 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -2.476 0.283 -0.706 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.125 -0.492 -0.086 0.00 0.00 +0.119 A ATOM 25 N LIG 1 -4.684 0.655 -0.509 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 -6.022 0.799 -0.344 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -6.866 -0.152 0.228 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.254 -1.336 0.645 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -4.878 -1.510 0.484 0.00 0.00 +0.044 A BRANCH 27 30 ATOM 30 C LIG 1 -8.312 0.074 0.375 0.00 0.00 -0.016 A ATOM 31 C LIG 1 -9.238 -0.875 -0.101 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -10.591 -0.628 0.055 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -11.772 -1.454 -0.358 0.00 0.00 +0.133 C ATOM 34 C LIG 1 -12.948 -0.592 0.118 0.00 0.00 +0.222 C ATOM 35 N LIG 1 -12.418 0.550 0.706 0.00 0.00 -0.285 N ATOM 36 H LIG 1 -12.995 1.279 1.100 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 -14.134 -0.852 0.004 0.00 0.00 -0.275 OA ATOM 38 C LIG 1 -11.034 0.537 0.672 0.00 0.00 +0.037 A ATOM 39 C LIG 1 -10.170 1.492 1.154 0.00 0.00 +0.024 A ATOM 40 C LIG 1 -8.799 1.251 1.001 0.00 0.00 +0.010 A ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 16