REMARK Name = BDB000364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.021 1.567 -0.024 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.359 1.268 0.695 0.00 0.00 +0.080 C BRANCH 2 3 ATOM 3 N LIG 1 -2.762 -0.133 0.544 0.00 0.00 -0.325 NA ATOM 4 H LIG 1 -3.751 -0.231 0.799 0.00 0.00 +0.119 HD ATOM 5 H LIG 1 -2.262 -0.722 1.208 0.00 0.00 +0.119 HD ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -3.494 2.240 0.252 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 O LIG 1 -3.148 3.569 0.699 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 -3.190 3.563 1.671 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -3.826 2.376 -1.245 0.00 0.00 +0.045 C BRANCH 9 10 ATOM 10 C LIG 1 -4.305 1.182 -2.096 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.159 0.365 -2.696 0.00 0.00 +0.017 C BRANCH 10 12 ATOM 12 C LIG 1 -5.354 0.284 -1.437 0.00 0.00 +0.216 C ATOM 13 N LIG 1 -5.949 -0.610 -2.304 0.00 0.00 -0.315 N ATOM 14 H LIG 1 -5.678 -0.612 -3.279 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -5.659 0.328 -0.247 0.00 0.00 -0.276 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.987 -1.530 -1.879 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 -6.444 -2.882 -1.421 0.00 0.00 +0.046 C BRANCH 17 18 ATOM 18 C LIG 1 -5.527 -2.829 -0.203 0.00 0.00 +0.157 C BRANCH 18 19 ATOM 19 O LIG 1 -6.141 -2.152 0.884 0.00 0.00 -0.395 OA ATOM 20 H LIG 1 -6.111 -1.194 0.668 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.318 1.220 0.689 0.00 0.00 -0.003 C BRANCH 21 22 ATOM 22 C LIG 1 0.816 2.284 1.721 0.00 0.00 -0.014 C ATOM 23 C LIG 1 -0.065 2.469 2.955 0.00 0.00 +0.007 C ATOM 24 C LIG 1 1.065 3.651 1.068 0.00 0.00 +0.007 C ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 0.338 -0.223 1.244 0.00 0.00 +0.039 C BRANCH 25 30 ATOM 26 C LIG 1 3.938 -1.479 0.948 0.00 0.00 +0.162 A ATOM 27 C LIG 1 4.280 -1.669 2.301 0.00 0.00 +0.162 A ATOM 28 C LIG 1 3.337 -1.391 3.295 0.00 0.00 +0.049 A ATOM 29 C LIG 1 2.064 -0.926 2.954 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.714 -0.731 1.615 0.00 0.00 -0.043 A ATOM 31 C LIG 1 2.659 -1.016 0.617 0.00 0.00 +0.053 A BRANCH 27 32 ATOM 32 O LIG 1 5.551 -2.132 2.543 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 5.954 -2.265 3.898 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 26 34 ATOM 34 O LIG 1 4.917 -1.776 0.032 0.00 0.00 -0.488 OA BRANCH 34 35 ATOM 35 C LIG 1 4.641 -1.532 -1.346 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 5.891 -1.877 -2.155 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 C LIG 1 7.030 -0.890 -1.899 0.00 0.00 +0.163 C BRANCH 37 39 ATOM 38 C LIG 1 6.983 0.607 -3.747 0.00 0.00 +0.193 C ATOM 39 O LIG 1 6.704 0.420 -2.367 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 25 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 21