REMARK Name = BDB038937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.445 1.317 -0.940 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.569 0.323 -0.542 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.178 0.707 -0.332 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.224 -0.447 -0.147 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.669 -1.787 -0.125 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.758 -2.839 0.033 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.391 -2.601 0.202 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.957 -1.267 0.195 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.295 -0.666 0.336 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.104 0.708 0.241 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.179 0.973 0.066 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.131 -2.090 -0.335 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.844 -0.215 0.028 0.00 0.00 +0.094 A ATOM 14 C LIG 1 6.014 -0.917 0.081 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.098 2.448 -1.262 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.084 1.856 0.282 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.799 2.097 -1.059 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -3.137 2.846 -0.897 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -3.033 3.902 0.206 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.709 3.288 1.573 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -2.014 1.925 1.487 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -3.583 3.480 -2.205 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.881 3.636 -3.190 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.883 3.858 -2.189 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.347 3.678 -1.351 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.674 1.904 -1.354 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.743 0.905 -0.937 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.500 -1.465 0.587 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.847 -1.514 2.079 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.683 -1.169 -0.353 0.00 0.00 +0.061 C BRANCH 30 31 ATOM 31 C LIG 1 -3.769 -2.226 -0.332 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -3.673 -3.432 -1.048 0.00 0.00 +0.044 A ATOM 33 CL LIG 1 -2.301 -3.804 -2.030 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -4.699 -4.379 -0.987 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.832 -4.138 -0.212 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.942 -2.950 0.503 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.920 -2.000 0.445 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7