REMARK Name = BDB065012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.716 -0.117 -0.253 0.00 0.00 +0.017 A ATOM 2 C LIG 1 -2.191 -0.270 -1.544 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.814 -0.442 -1.738 0.00 0.00 +0.014 A ATOM 4 C LIG 1 0.060 -0.471 -0.645 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.449 -0.301 0.645 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -1.825 -0.130 0.833 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -7.105 0.546 1.925 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -6.051 0.346 1.015 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -6.351 0.242 -0.341 0.00 0.00 +0.067 A ATOM 10 N LIG 1 -5.136 0.052 -0.949 0.00 0.00 -0.338 N ATOM 11 H LIG 1 -4.994 -0.075 -1.938 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 -4.149 0.062 0.009 0.00 0.00 +0.139 A ATOM 13 C LIG 1 -7.649 0.324 -0.855 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -8.683 0.523 0.065 0.00 0.00 +0.003 A ATOM 15 N LIG 1 -4.690 0.253 1.198 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 -8.422 0.632 1.433 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 -7.547 1.599 4.053 0.00 0.00 -0.325 N ATOM 18 H LIG 1 -7.256 1.755 5.010 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -7.985 2.369 3.567 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 -6.837 0.643 3.374 0.00 0.00 +0.244 C ATOM 21 O LIG 1 -6.043 -0.079 3.958 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 1.515 -0.657 -0.905 0.00 0.00 +0.244 C ATOM 23 N LIG 1 2.261 -1.202 0.122 0.00 0.00 -0.307 N ATOM 24 H LIG 1 1.753 -1.694 0.846 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 1.991 -0.357 -1.994 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 3.640 -1.601 -0.102 0.00 0.00 +0.092 C ATOM 27 C LIG 1 4.574 -0.476 -0.587 0.00 0.00 +0.130 C ATOM 28 N LIG 1 5.887 -0.820 -0.054 0.00 0.00 -0.293 N ATOM 29 C LIG 1 7.131 -0.402 -0.517 0.00 0.00 +0.282 C ATOM 30 O LIG 1 8.144 -0.993 -0.135 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 5.796 -1.955 0.846 0.00 0.00 +0.110 C ATOM 32 C LIG 1 4.320 -2.057 1.189 0.00 0.00 +0.043 C BRANCH 29 33 ATOM 33 C LIG 1 7.203 0.718 -1.442 0.00 0.00 +0.191 A ATOM 34 O LIG 1 8.305 0.780 -2.260 0.00 0.00 -0.439 OA ATOM 35 C LIG 1 8.196 1.891 -3.034 0.00 0.00 +0.195 A ATOM 36 CL LIG 1 9.362 2.341 -4.212 0.00 0.00 -0.043 Cl ATOM 37 C LIG 1 7.040 2.567 -2.721 0.00 0.00 +0.063 A ATOM 38 C LIG 1 6.407 1.823 -1.694 0.00 0.00 +0.056 A ENDBRANCH 29 33 ENDBRANCH 23 26 ENDBRANCH 4 22 TORSDOF 5