REMARK Name = BDB028889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.260 4.576 -1.375 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -3.775 3.522 -0.510 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -4.500 2.325 -0.479 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -5.514 2.123 -1.142 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.924 1.339 0.412 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -4.283 0.015 0.785 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -3.308 -0.425 1.666 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -2.392 0.586 1.835 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -2.761 1.663 1.076 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -2.060 2.820 1.010 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -2.609 3.698 0.223 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.417 -0.800 0.390 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -6.716 -0.290 0.481 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -7.813 -1.058 0.068 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -7.618 -2.361 -0.408 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -6.318 -2.872 -0.494 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -6.018 -4.470 -1.083 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -5.223 -2.098 -0.099 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -9.154 -0.433 0.166 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -9.439 0.366 1.045 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -10.063 -0.783 -0.799 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -9.718 -1.051 -1.716 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -10.894 -0.200 -0.806 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -8.666 -3.165 -0.778 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -9.502 -2.762 -0.473 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.232 0.538 2.707 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 0.031 0.167 1.955 0.00 0.00 +0.237 C ATOM 28 N LIG 1 0.473 1.149 1.085 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.100 1.994 1.018 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 0.591 -0.904 2.176 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 1.620 1.122 0.249 0.00 0.00 +0.057 A ATOM 32 C LIG 1 1.938 2.254 -0.501 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 0.995 3.696 -0.451 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 3.057 2.208 -1.312 0.00 0.00 +0.134 A ATOM 35 N LIG 1 3.870 1.134 -1.422 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 3.587 0.032 -0.694 0.00 0.00 +0.123 A ATOM 37 C LIG 1 2.453 0.005 0.129 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 4.398 -1.094 -0.828 0.00 0.00 -0.312 N ATOM 39 C LIG 1 5.514 -0.994 -1.781 0.00 0.00 +0.127 C ATOM 40 C LIG 1 6.862 -0.588 -1.103 0.00 0.00 +0.100 C ATOM 41 N LIG 1 6.989 -1.054 0.308 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 8.374 -1.121 0.773 0.00 0.00 +0.113 C ATOM 43 C LIG 1 9.357 -1.706 -0.241 0.00 0.00 +0.175 C ATOM 44 O LIG 1 9.304 -0.961 -1.460 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 6.177 -2.246 0.547 0.00 0.00 +0.104 C ATOM 46 C LIG 1 8.002 -1.075 -2.039 0.00 0.00 +0.180 C ATOM 47 C LIG 1 4.675 -1.892 0.389 0.00 0.00 +0.122 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7