REMARK Name = BDB016758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.992 -1.566 -1.498 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.927 -0.204 -1.848 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.685 0.440 -1.822 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.499 -0.204 -1.495 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.485 0.803 -1.600 0.00 0.00 +0.100 A ATOM 6 N LIG 1 2.022 1.990 -1.933 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.555 -1.569 -1.156 0.00 0.00 +0.012 A ATOM 8 N LIG 1 3.331 1.734 -2.074 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.941 2.498 -2.339 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.796 -2.226 -1.170 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.781 0.712 2.174 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.470 -0.352 1.314 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.438 -0.832 0.443 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.453 -1.930 -0.583 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.314 -2.298 -1.512 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.869 -1.915 -1.113 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.536 -0.893 -0.461 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.506 -0.679 -0.634 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.315 -2.670 -1.959 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.708 -3.216 -0.372 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.712 -0.247 0.462 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.055 0.798 1.294 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.068 1.281 2.159 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.985 2.194 3.859 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.747 1.102 2.981 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.045 0.669 -1.382 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -0.664 1.671 -0.718 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -2.045 1.547 -0.501 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -2.772 0.430 -0.942 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -2.039 -0.560 -1.615 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -0.658 -0.446 -1.839 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -4.133 0.312 -0.719 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -4.837 -0.973 -0.839 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -6.133 -0.959 0.006 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -7.117 0.075 -0.392 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -6.429 1.256 -0.962 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -4.977 1.494 -0.480 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 C LIG 1 -8.039 0.409 0.701 0.00 0.00 +0.057 C ATOM 39 C LIG 1 -8.754 -0.806 1.310 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -9.911 -0.201 2.096 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -10.265 1.098 1.377 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -9.241 1.254 0.255 0.00 0.00 +0.019 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5