REMARK Name = BDB010377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.137 2.412 0.338 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.764 1.111 0.626 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.571 1.125 0.978 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.914 2.468 0.896 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -2.127 2.960 1.190 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.971 2.014 1.595 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.742 0.684 1.702 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.531 0.191 1.368 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.130 3.236 0.482 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.339 2.438 1.968 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.212 1.510 2.394 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.041 0.525 2.501 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.359 2.146 2.661 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.385 1.629 3.072 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.187 3.482 2.394 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.836 3.632 1.938 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.388 2.731 -0.043 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.191 2.119 0.085 0.00 0.00 +0.150 HD BRANCH 17 20 ATOM 19 C LIG 1 2.546 4.655 -1.523 0.00 0.00 +0.034 C ATOM 20 C LIG 1 2.803 4.134 -0.105 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 4.264 4.322 0.270 0.00 0.00 +0.068 A ATOM 22 N LIG 1 5.109 3.208 0.262 0.00 0.00 -0.250 NA ATOM 23 C LIG 1 6.320 3.577 0.617 0.00 0.00 +0.156 A ATOM 24 S LIG 1 6.530 5.236 0.991 0.00 0.00 -0.084 S ATOM 25 C LIG 1 4.872 5.505 0.654 0.00 0.00 +0.071 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 -1.302 -1.173 1.437 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -0.582 -1.496 0.808 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.439 -2.092 1.529 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -1.944 -3.355 2.242 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -2.950 -2.472 0.137 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.752 -1.407 -0.666 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.599 -2.570 -1.219 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.241 -3.339 0.069 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 1.677 -0.019 0.647 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 2.089 -0.539 -0.747 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.929 -1.168 -1.546 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.884 -2.687 -1.410 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.173 -3.356 -1.923 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.020 -3.831 -3.368 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.402 -2.440 -1.793 0.00 0.00 +0.003 C ATOM 41 C LIG 1 3.276 -1.512 -0.591 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9