REMARK Name = BDB062295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.042 -0.978 -0.478 0.00 0.00 +0.223 A ATOM 2 N LIG 1 -1.175 -1.627 -0.746 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 -2.259 -0.869 -0.940 0.00 0.00 +0.168 A ATOM 4 N LIG 1 -2.265 0.467 -0.913 0.00 0.00 -0.216 NA ATOM 5 C LIG 1 -1.083 1.007 -0.646 0.00 0.00 +0.227 A ATOM 6 N LIG 1 0.046 0.346 -0.422 0.00 0.00 -0.203 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.517 -1.556 -1.273 0.00 0.00 +0.059 A ATOM 8 C LIG 1 -4.789 -1.038 -0.946 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -5.941 -1.666 -1.304 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -5.861 -2.833 -1.972 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -4.669 -3.430 -2.322 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -3.491 -2.781 -1.970 0.00 0.00 +0.016 A BRANCH 8 13 ATOM 13 N LIG 1 -4.889 0.150 -0.166 0.00 0.00 -0.296 N ATOM 14 H LIG 1 -4.248 0.830 -0.585 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.133 0.770 0.154 0.00 0.00 +0.077 A ATOM 16 C LIG 1 -6.522 1.949 -0.517 0.00 0.00 +0.105 A ATOM 17 CL LIG 1 -5.415 2.680 -1.648 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -7.776 2.544 -0.285 0.00 0.00 +0.144 A ATOM 19 C LIG 1 -8.653 1.952 0.631 0.00 0.00 +0.094 A ATOM 20 C LIG 1 -8.294 0.783 1.315 0.00 0.00 +0.144 A ATOM 21 C LIG 1 -7.034 0.198 1.076 0.00 0.00 +0.105 A ATOM 22 CL LIG 1 -6.565 -1.206 1.999 0.00 0.00 -0.078 Cl BRANCH 18 23 ATOM 23 O LIG 1 -8.049 3.694 -0.982 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -9.343 4.268 -0.849 0.00 0.00 +0.277 C ENDBRANCH 18 23 BRANCH 20 25 ATOM 25 O LIG 1 -9.096 0.164 2.242 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 -10.432 0.623 2.390 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 27 N LIG 1 1.063 -1.800 -0.265 0.00 0.00 -0.284 N ATOM 28 H LIG 1 0.773 -2.765 -0.316 0.00 0.00 +0.155 HD BRANCH 27 32 ATOM 29 C LIG 1 5.177 -1.228 0.707 0.00 0.00 +0.030 A ATOM 30 C LIG 1 4.320 -0.135 0.550 0.00 0.00 +0.025 A ATOM 31 C LIG 1 2.961 -0.301 0.230 0.00 0.00 +0.025 A ATOM 32 C LIG 1 2.402 -1.567 0.062 0.00 0.00 +0.034 A ATOM 33 C LIG 1 3.256 -2.665 0.215 0.00 0.00 +0.025 A ATOM 34 C LIG 1 4.612 -2.498 0.531 0.00 0.00 +0.025 A BRANCH 29 38 ATOM 35 N LIG 1 8.984 0.293 -0.020 0.00 0.00 -0.300 NA ATOM 36 C LIG 1 8.876 -1.177 0.132 0.00 0.00 +0.103 C ATOM 37 C LIG 1 7.429 -1.702 -0.006 0.00 0.00 +0.120 C ATOM 38 N LIG 1 6.535 -1.114 1.023 0.00 0.00 -0.327 N ATOM 39 C LIG 1 7.052 0.118 1.648 0.00 0.00 +0.120 C ATOM 40 C LIG 1 7.848 0.980 0.641 0.00 0.00 +0.103 C BRANCH 35 42 ATOM 41 C LIG 1 10.625 2.152 -0.098 0.00 0.00 +0.020 C ATOM 42 C LIG 1 10.295 0.764 0.439 0.00 0.00 +0.081 C ENDBRANCH 35 42 ENDBRANCH 29 38 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 9