REMARK Name = BDB016051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.240 1.897 -2.558 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.138 1.192 -1.354 0.00 0.00 +0.131 A ATOM 3 N LIG 1 1.026 0.660 -0.936 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 2.111 0.795 -1.721 0.00 0.00 +0.162 A ATOM 5 N LIG 1 2.112 1.435 -2.901 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 0.939 1.974 -3.282 0.00 0.00 +0.125 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.073 4.429 -4.344 0.00 0.00 +0.065 C ATOM 8 C LIG 1 -3.809 3.752 -3.907 0.00 0.00 +0.038 A ATOM 9 N LIG 1 -3.335 4.053 -2.678 0.00 0.00 -0.260 NA ATOM 10 C LIG 1 -2.189 3.445 -2.284 0.00 0.00 +0.119 A ATOM 11 C LIG 1 -1.472 2.527 -3.050 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -1.993 2.239 -4.317 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -3.168 2.853 -4.752 0.00 0.00 +0.023 A ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 3.378 0.194 -1.255 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.453 -0.505 -0.031 0.00 0.00 +0.020 A ATOM 16 C LIG 1 4.648 -1.082 0.429 0.00 0.00 -0.014 A ATOM 17 C LIG 1 5.800 -0.960 -0.355 0.00 0.00 +0.008 A ATOM 18 C LIG 1 5.758 -0.276 -1.568 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.561 0.293 -2.010 0.00 0.00 +0.011 A BRANCH 16 20 ATOM 20 C LIG 1 4.669 -1.800 1.692 0.00 0.00 +0.020 A ATOM 21 C LIG 1 5.753 -1.894 2.540 0.00 0.00 +0.116 A ATOM 22 N LIG 1 5.341 -2.635 3.610 0.00 0.00 -0.274 N ATOM 23 C LIG 1 6.122 -2.999 4.767 0.00 0.00 +0.172 C ATOM 24 N LIG 1 4.061 -3.035 3.524 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 3.653 -2.525 2.359 0.00 0.00 +0.142 A ENDBRANCH 16 20 ENDBRANCH 4 14 BRANCH 2 26 ATOM 26 N LIG 1 -1.271 1.070 -0.527 0.00 0.00 -0.326 N ATOM 27 H LIG 1 -2.072 0.782 -1.084 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.132 0.295 0.716 0.00 0.00 +0.074 C ATOM 29 C LIG 1 -1.164 -1.212 0.422 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -1.770 -1.981 1.586 0.00 0.00 +0.111 C ATOM 31 N LIG 1 -3.196 -1.591 1.771 0.00 0.00 -0.181 NA ATOM 32 C LIG 1 -3.491 -0.154 1.512 0.00 0.00 +0.111 C ATOM 33 C LIG 1 -2.254 0.714 1.679 0.00 0.00 +0.039 C BRANCH 31 34 ATOM 34 S LIG 1 -3.925 -2.284 3.148 0.00 0.00 +0.029 S ATOM 35 O LIG 1 -3.755 -1.358 4.247 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -3.478 -3.656 3.244 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -5.642 -2.310 2.671 0.00 0.00 +0.215 C ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 2 26 TORSDOF 6