REMARK Name = BDB034002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.251 0.898 -0.401 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.225 1.872 -2.146 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.171 1.992 -1.272 0.00 0.00 -0.304 N ATOM 4 H LIG 1 -0.425 2.813 -1.303 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.881 0.844 -2.268 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 2.678 3.011 -3.860 0.00 0.00 +0.013 C ATOM 7 C LIG 1 1.478 3.138 -2.939 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.787 0.869 -0.412 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.335 -0.334 -0.026 0.00 0.00 -0.309 N ATOM 10 H LIG 1 -1.745 -1.006 0.456 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -2.459 1.859 -0.697 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.769 -0.507 0.231 0.00 0.00 +0.090 C BRANCH 12 13 ATOM 13 C LIG 1 -4.589 -0.538 -1.091 0.00 0.00 +0.011 C ATOM 14 C LIG 1 -6.103 -0.433 -0.823 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -6.902 -0.707 -2.092 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -6.665 -2.120 -2.626 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -5.357 -2.745 -2.144 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -4.236 -1.716 -2.027 0.00 0.00 +0.005 C ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.972 -1.763 1.130 0.00 0.00 +0.106 C BRANCH 19 20 ATOM 20 N LIG 1 -2.979 -1.853 2.233 0.00 0.00 -0.307 NA ATOM 21 C LIG 1 -3.058 -3.175 2.865 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -3.211 -0.816 3.246 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 0.217 1.087 1.048 0.00 0.00 +0.094 C BRANCH 23 24 ATOM 24 C LIG 1 1.707 1.069 1.191 0.00 0.00 +0.082 A ATOM 25 S LIG 1 2.567 -0.417 1.172 0.00 0.00 -0.072 S ATOM 26 C LIG 1 4.048 0.438 1.361 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.776 1.802 1.454 0.00 0.00 +0.078 A ATOM 28 C LIG 1 4.850 2.695 1.621 0.00 0.00 +0.029 A ATOM 29 C LIG 1 6.161 2.206 1.688 0.00 0.00 +0.006 A ATOM 30 C LIG 1 6.428 0.835 1.593 0.00 0.00 -0.044 A ATOM 31 C LIG 1 5.360 -0.065 1.428 0.00 0.00 +0.021 A ATOM 32 N LIG 1 2.437 2.148 1.373 0.00 0.00 -0.244 NA BRANCH 30 33 ATOM 33 C LIG 1 7.866 0.345 1.664 0.00 0.00 +0.013 C ATOM 34 C LIG 1 8.087 -0.581 2.863 0.00 0.00 +0.012 C ATOM 35 C LIG 1 8.292 -0.336 0.361 0.00 0.00 +0.012 C ENDBRANCH 30 33 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10