REMARK Name = BDB027165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.800 -1.939 -0.175 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.685 -3.449 -0.002 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.235 -4.060 1.138 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.148 -5.442 1.318 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.522 -6.232 0.357 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.992 -5.644 -0.788 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.078 -4.263 -0.972 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.494 -1.318 -0.749 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.410 -1.041 -1.950 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.439 0.779 -0.103 0.00 0.00 -0.013 A ATOM 11 C LIG 1 3.925 0.183 1.061 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.647 -0.393 1.008 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.867 -0.404 -0.148 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.631 -1.068 0.164 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.712 -1.433 1.498 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.398 0.194 -1.309 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.925 -1.027 1.989 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.252 -1.176 2.935 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.673 0.777 -1.274 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.315 3.744 -1.032 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.461 2.711 -0.499 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.938 1.881 0.446 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.904 1.074 0.699 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.761 1.383 -0.077 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.165 2.457 -0.843 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.964 -1.641 -1.054 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.648 -1.830 -2.011 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.400 -0.241 -0.988 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.250 0.052 0.257 0.00 0.00 +0.052 C BRANCH 29 30 ATOM 30 C LIG 1 -4.754 1.469 0.262 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -5.984 1.799 -0.296 0.00 0.00 +0.116 A ATOM 32 N LIG 1 -6.487 3.054 -0.344 0.00 0.00 -0.240 NA ATOM 33 C LIG 1 -5.739 4.036 0.182 0.00 0.00 +0.116 A ATOM 34 C LIG 1 -4.493 3.813 0.749 0.00 0.00 +0.043 A ATOM 35 C LIG 1 -3.994 2.513 0.790 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 N LIG 1 -6.263 5.324 0.107 0.00 0.00 -0.343 N ATOM 37 H LIG 1 -7.189 5.236 -0.305 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -6.297 5.763 1.019 0.00 0.00 +0.144 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9