REMARK Name = BDB027078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.862 1.820 0.134 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.972 2.662 -0.477 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.220 2.662 -1.860 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.245 3.441 -2.400 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.027 4.240 -1.570 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.781 4.268 -0.199 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.758 3.488 0.344 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.457 2.422 -0.192 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 0.888 1.830 -0.911 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 1.357 2.554 0.957 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 2.754 1.605 2.832 0.00 0.00 +0.014 C ATOM 12 C LIG 1 1.787 1.256 1.692 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 2.409 0.183 0.814 0.00 0.00 -0.043 A ATOM 14 C LIG 1 2.074 -1.163 1.038 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.616 -2.176 0.245 0.00 0.00 +0.013 A ATOM 16 C LIG 1 3.499 -1.861 -0.790 0.00 0.00 +0.037 A ATOM 17 C LIG 1 3.870 -0.528 -0.999 0.00 0.00 +0.013 A ATOM 18 C LIG 1 3.332 0.484 -0.199 0.00 0.00 +0.004 A BRANCH 16 19 ATOM 19 C LIG 1 4.032 -2.967 -1.628 0.00 0.00 +0.242 C ATOM 20 O LIG 1 4.079 -4.122 -1.224 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 4.431 -2.651 -2.898 0.00 0.00 -0.325 N ATOM 22 H LIG 1 4.102 -1.810 -3.351 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 4.641 -3.442 -3.495 0.00 0.00 +0.145 HD ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -0.906 0.351 -0.377 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -0.227 0.013 -1.353 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -1.752 -0.620 0.329 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -1.740 -2.048 0.171 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -2.691 -2.579 1.043 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -2.934 -3.954 1.157 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -2.178 -4.816 0.359 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -1.221 -4.321 -0.522 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -3.277 -1.522 1.694 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -4.016 -1.612 2.378 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -0.996 -2.944 -0.627 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -2.716 -0.341 1.282 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8