REMARK Name = BDB039404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.483 -5.441 -0.683 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.418 -4.410 -1.068 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.106 -3.077 -1.154 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.250 -2.398 -1.562 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.163 -1.000 -1.718 0.00 0.00 -0.021 A ATOM 6 C LIG 1 0.904 -0.424 -1.450 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.181 -1.210 -1.051 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.273 -3.377 -1.714 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.104 -2.552 -0.885 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 2.732 -4.607 -1.404 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.511 -0.624 -0.763 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.316 -1.163 0.267 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.558 -0.607 0.527 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.586 -1.000 1.532 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.617 0.014 1.347 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.348 0.834 0.265 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -6.061 1.680 -0.237 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.014 0.470 -0.224 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.278 1.027 -1.248 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -2.021 0.471 -1.512 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.891 -0.070 2.052 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.972 -0.632 1.130 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -7.903 -1.764 0.650 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -9.014 0.200 0.808 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -9.707 -0.185 0.182 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.176 1.524 1.118 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.155 2.145 0.708 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.104 2.182 1.951 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.320 1.193 2.794 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.316 -0.123 -2.149 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.652 0.922 -1.161 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.563 1.904 -1.763 0.00 0.00 +0.087 C ATOM 33 C LIG 1 4.848 3.055 -0.803 0.00 0.00 +0.042 C ATOM 34 C LIG 1 5.333 2.589 0.572 0.00 0.00 +0.110 C ATOM 35 C LIG 1 4.516 1.410 1.107 0.00 0.00 +0.042 C ATOM 36 C LIG 1 4.233 0.337 0.057 0.00 0.00 +0.087 C BRANCH 34 37 ATOM 37 N LIG 1 6.777 2.370 0.629 0.00 0.00 -0.268 N ATOM 38 N LIG 1 7.521 3.189 1.404 0.00 0.00 -0.179 NA ATOM 39 C LIG 1 8.768 2.743 1.247 0.00 0.00 +0.134 A ATOM 40 C LIG 1 8.835 1.646 0.375 0.00 0.00 +0.041 A ATOM 41 C LIG 1 7.533 1.429 -0.011 0.00 0.00 +0.108 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5