REMARK Name = BDB010273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.854 2.001 -0.960 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.655 0.849 -1.623 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.347 -0.364 -1.092 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.411 -1.341 -1.840 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 1.908 -0.258 0.169 0.00 0.00 -0.232 N ATOM 6 C LIG 1 2.052 0.999 0.744 0.00 0.00 +0.123 A ATOM 7 N LIG 1 1.580 2.078 0.196 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 2.414 -1.450 0.760 0.00 0.00 +0.239 A ATOM 9 N LIG 1 3.418 -1.382 1.651 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 3.878 -2.540 2.192 0.00 0.00 +0.161 A ATOM 11 C LIG 1 3.382 -3.782 1.887 0.00 0.00 +0.157 A ATOM 12 C LIG 1 2.354 -3.754 0.976 0.00 0.00 +0.161 A ATOM 13 N LIG 1 1.859 -2.628 0.420 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 3.773 -4.991 2.364 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 4.844 -4.992 3.307 0.00 0.00 +0.226 C ATOM 16 C LIG 1 5.096 -6.428 3.716 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 2.743 1.215 2.149 0.00 0.00 +0.056 C ATOM 18 C LIG 1 2.571 2.601 2.854 0.00 0.00 +0.011 C ATOM 19 C LIG 1 4.013 2.445 3.367 0.00 0.00 +0.001 C ATOM 20 C LIG 1 4.268 1.538 2.150 0.00 0.00 +0.011 C ENDBRANCH 6 17 BRANCH 1 21 ATOM 21 C LIG 1 0.249 3.337 -1.368 0.00 0.00 +0.056 C BRANCH 21 22 ATOM 22 C LIG 1 1.297 4.420 -1.678 0.00 0.00 +0.006 C BRANCH 22 24 ATOM 23 C LIG 1 1.444 4.296 -4.214 0.00 0.00 +0.004 C ATOM 24 C LIG 1 2.181 4.133 -2.895 0.00 0.00 -0.003 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 2 25 ATOM 25 C LIG 1 -0.148 0.653 -2.885 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -1.593 0.300 -2.623 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -1.949 -0.907 -2.036 0.00 0.00 +0.115 A ATOM 28 N LIG 1 -3.222 -1.258 -1.727 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 -4.208 -0.393 -2.067 0.00 0.00 +0.072 A ATOM 30 C LIG 1 -3.949 0.825 -2.683 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -2.628 1.175 -2.956 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 -5.570 -0.822 -1.734 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -6.089 -0.836 -0.421 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -7.433 -1.188 -0.199 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -8.258 -1.556 -1.259 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.753 -1.571 -2.554 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.426 -1.205 -2.788 0.00 0.00 +0.011 A BRANCH 33 38 ATOM 38 C LIG 1 -5.312 -0.465 0.776 0.00 0.00 +0.183 A ATOM 39 N LIG 1 -4.002 -0.716 0.866 0.00 0.00 -0.271 N ATOM 40 H LIG 1 -3.404 -1.149 0.175 0.00 0.00 +0.174 HD ATOM 41 C LIG 1 -3.592 -0.262 2.057 0.00 0.00 +0.440 A ATOM 42 O LIG 1 -2.451 -0.293 2.488 0.00 0.00 -0.221 OA ATOM 43 O LIG 1 -4.678 0.258 2.716 0.00 0.00 -0.295 OA ATOM 44 N LIG 1 -5.800 0.090 1.838 0.00 0.00 -0.054 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 11