REMARK Name = BDB006365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.081 -4.043 1.268 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.319 -2.917 0.378 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.453 -1.749 0.088 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.294 -0.951 -0.781 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.187 0.286 -1.247 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.454 0.709 -0.832 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.227 -0.081 0.021 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.489 -1.612 -1.012 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.728 -1.302 0.497 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.509 -2.812 -0.326 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.663 -3.757 -0.374 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.579 0.346 0.472 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -4.303 1.114 -0.418 0.00 0.00 -0.311 N ATOM 14 H LIG 1 -3.979 1.192 -1.372 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -4.012 -0.012 1.562 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.669 1.517 -0.130 0.00 0.00 +0.112 C BRANCH 16 17 ATOM 17 C LIG 1 -6.696 0.382 -0.315 0.00 0.00 +0.033 C ATOM 18 C LIG 1 -6.718 -0.137 -1.759 0.00 0.00 +0.014 C BRANCH 17 19 ATOM 19 C LIG 1 -8.071 0.839 0.148 0.00 0.00 -0.043 A ATOM 20 C LIG 1 -8.568 0.385 1.379 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -9.819 0.799 1.841 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -10.588 1.677 1.080 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -10.104 2.143 -0.140 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.853 1.731 -0.603 0.00 0.00 +0.004 A ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 2.549 -1.127 -1.898 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.745 -0.584 -1.153 0.00 0.00 -0.028 A ATOM 27 C LIG 1 5.037 -0.995 -1.513 0.00 0.00 +0.006 A ATOM 28 C LIG 1 6.159 -0.484 -0.853 0.00 0.00 +0.009 A ATOM 29 C LIG 1 6.023 0.461 0.175 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.731 0.878 0.524 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.607 0.369 -0.134 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 7.203 0.986 0.880 0.00 0.00 -0.004 A ATOM 33 C LIG 1 8.188 1.780 0.260 0.00 0.00 +0.067 A ATOM 34 C LIG 1 9.337 2.184 0.958 0.00 0.00 +0.015 A ATOM 35 C LIG 1 9.502 1.832 2.296 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.528 1.071 2.936 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.394 0.649 2.235 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 8.087 2.220 -1.145 0.00 0.00 +0.337 C ATOM 39 O LIG 1 8.958 2.114 -1.988 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 6.931 2.861 -1.386 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 6.988 3.121 -2.327 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 9