REMARK Name = BDB041432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 -0.116 1.352 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.908 -1.159 2.248 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.284 -2.409 2.204 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.804 -3.298 3.206 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.787 -2.723 3.973 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.725 -2.632 1.234 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.098 -1.632 0.325 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.095 -1.116 3.509 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.454 -0.392 0.407 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.208 1.256 1.368 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 -4.822 2.493 1.009 0.00 0.00 +0.007 C ATOM 12 C LIG 1 -3.328 2.400 1.395 0.00 0.00 +0.089 C ATOM 13 N LIG 1 -2.597 1.237 0.880 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -2.662 1.141 -0.586 0.00 0.00 +0.140 C ATOM 15 C LIG 1 -3.887 0.439 -1.150 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -5.146 0.439 -0.537 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -6.180 -0.267 -1.175 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -5.958 -0.903 -2.389 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.697 -0.819 -2.938 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -3.672 -0.164 -2.356 0.00 0.00 -0.258 NA ATOM 21 C LIG 1 -5.450 1.106 0.783 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 -6.556 3.765 -0.389 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -5.077 3.515 -0.121 0.00 0.00 +0.002 C ENDBRANCH 11 23 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 2.189 -1.824 -0.735 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.472 -1.066 -0.355 0.00 0.00 -0.035 A ATOM 26 C LIG 1 4.045 -0.089 -1.206 0.00 0.00 -0.023 A ATOM 27 C LIG 1 3.436 0.296 -2.524 0.00 0.00 +0.046 C ATOM 28 C LIG 1 5.230 0.504 -0.778 0.00 0.00 +0.068 A ATOM 29 N LIG 1 6.004 1.499 -1.443 0.00 0.00 -0.262 N ATOM 30 H LIG 1 5.440 2.350 -1.490 0.00 0.00 +0.168 HD ATOM 31 N LIG 1 7.188 1.703 -0.631 0.00 0.00 -0.161 NA ATOM 32 H LIG 1 7.970 1.258 -1.125 0.00 0.00 +0.168 HD ATOM 33 N LIG 1 6.961 1.015 0.608 0.00 0.00 -0.252 N ATOM 34 C LIG 1 8.078 0.544 1.407 0.00 0.00 +0.151 C ATOM 35 C LIG 1 5.840 0.198 0.445 0.00 0.00 +0.068 A ATOM 36 C LIG 1 5.291 -0.746 1.282 0.00 0.00 +0.026 A ATOM 37 C LIG 1 4.111 -1.378 0.878 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 38 ATOM 38 C LIG 1 2.512 -3.293 -1.063 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 3.224 -3.422 -2.385 0.00 0.00 +0.306 C ATOM 40 O LIG 1 2.648 -3.624 -3.444 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 4.565 -3.295 -2.309 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 4.901 -3.042 -1.426 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 24 38 ENDBRANCH 7 24 TORSDOF 8