REMARK Name = BDB058755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.416 3.061 2.714 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.964 1.797 2.068 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.539 1.179 0.914 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.805 0.022 0.640 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.109 -0.810 -0.454 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.188 -0.464 -1.272 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.948 0.671 -0.996 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.191 -0.062 1.600 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.623 1.512 0.074 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.096 1.001 2.478 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.029 1.193 3.626 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.080 1.047 -1.868 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.081 0.137 -2.122 0.00 0.00 -0.308 N ATOM 14 H LIG 1 5.809 0.570 -2.681 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.130 2.171 -2.357 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.489 -0.977 -1.261 0.00 0.00 +0.076 C ATOM 17 C LIG 1 6.271 -0.484 -0.037 0.00 0.00 +0.037 C ATOM 18 C LIG 1 7.689 -0.052 -0.403 0.00 0.00 +0.082 C ATOM 19 N LIG 1 8.421 -1.115 -1.093 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 8.513 -1.920 -0.473 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 7.735 -1.519 -2.320 0.00 0.00 +0.082 C ATOM 22 C LIG 1 6.312 -2.003 -2.048 0.00 0.00 +0.037 C ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.165 -1.151 1.693 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.546 -0.757 1.224 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -2.753 -0.128 -0.012 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.044 0.191 -0.443 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.162 -0.121 0.344 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -4.955 -0.756 1.575 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.664 -1.076 2.008 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.516 0.228 -0.105 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -7.242 -0.526 -1.049 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.519 -0.103 -1.462 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -9.082 1.062 -0.942 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.378 1.812 -0.006 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.109 1.400 0.406 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.704 -1.795 -1.603 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -6.017 -2.622 -1.038 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -7.069 -1.963 -2.889 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -6.641 -2.808 -3.139 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 7