REMARK Name = BDB010535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.015 0.432 -0.137 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.538 1.708 -0.190 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.535 2.487 -0.594 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.459 3.803 -0.849 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.767 4.295 -0.667 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.878 3.632 -0.262 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.675 1.753 -0.695 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.775 2.309 -0.001 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.355 0.539 -0.307 0.00 0.00 +0.201 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.978 1.648 0.483 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -4.096 1.497 -0.353 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -5.248 0.860 0.111 0.00 0.00 +0.043 A ATOM 13 CL LIG 1 -6.592 0.663 -0.945 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 -5.317 0.376 1.413 0.00 0.00 +0.040 A ATOM 15 C LIG 1 -4.222 0.542 2.255 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -4.289 -0.051 3.868 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.064 1.177 1.803 0.00 0.00 +0.030 A ENDBRANCH 8 10 BRANCH 5 18 ATOM 18 C LIG 1 -0.961 5.741 -0.925 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -2.175 6.282 -0.733 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.009 5.814 -0.418 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -2.074 7.583 -1.032 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.977 8.402 -0.974 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -0.782 7.842 -1.415 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -0.078 6.596 -1.329 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 9 25 ATOM 25 N LIG 1 2.205 -0.511 -0.171 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.396 -1.160 1.146 0.00 0.00 +0.132 C ATOM 27 C LIG 1 3.002 -2.581 0.909 0.00 0.00 +0.187 C ATOM 28 O LIG 1 4.046 -2.693 -0.072 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 4.511 -1.430 -0.544 0.00 0.00 +0.179 C ATOM 30 C LIG 1 3.371 -0.554 -1.080 0.00 0.00 +0.136 C BRANCH 26 31 ATOM 31 C LIG 1 3.148 -0.340 2.202 0.00 0.00 -0.025 A ATOM 32 C LIG 1 3.239 -0.850 3.513 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.895 -0.144 4.526 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.465 1.094 4.254 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.375 1.627 2.972 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.720 0.919 1.959 0.00 0.00 +0.005 A ENDBRANCH 26 31 ENDBRANCH 9 25 BRANCH 1 37 ATOM 37 C LIG 1 -0.774 -0.808 -0.097 0.00 0.00 +0.128 C BRANCH 37 42 ATOM 38 C LIG 1 -0.415 -5.295 -2.080 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.745 -3.878 -1.615 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.240 -3.584 -1.748 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.605 -2.212 -1.175 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.541 -1.117 -1.404 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -0.608 -1.494 -2.563 0.00 0.00 +0.005 C ATOM 44 C LIG 1 0.094 -2.842 -2.380 0.00 0.00 +0.003 C ENDBRANCH 37 42 ENDBRANCH 1 37 TORSDOF 6