REMARK Name = BDB061611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.219 -1.177 -2.413 0.00 0.00 -0.025 A ATOM 2 C LIG 1 -2.079 -0.102 -2.664 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -3.292 0.037 -1.971 0.00 0.00 -0.008 A ATOM 4 C LIG 1 -4.181 1.196 -2.315 0.00 0.00 +0.047 C ATOM 5 C LIG 1 -3.610 -0.890 -0.964 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.797 -2.015 -0.750 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.147 -3.089 0.240 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.589 -2.128 -1.456 0.00 0.00 +0.012 A ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.096 -1.292 -3.145 0.00 0.00 +0.184 C BRANCH 9 13 ATOM 10 N LIG 1 2.620 0.371 -1.164 0.00 0.00 -0.250 N ATOM 11 C LIG 1 1.917 -0.786 -1.464 0.00 0.00 +0.351 A ATOM 12 O LIG 1 1.942 -1.881 -0.922 0.00 0.00 -0.244 OA ATOM 13 N LIG 1 1.112 -0.450 -2.561 0.00 0.00 -0.208 N ATOM 14 N LIG 1 1.282 0.868 -2.902 0.00 0.00 -0.157 NA ATOM 15 C LIG 1 2.173 1.282 -2.058 0.00 0.00 +0.230 A BRANCH 10 19 ATOM 16 C LIG 1 5.487 0.978 1.932 0.00 0.00 -0.047 A ATOM 17 C LIG 1 5.130 2.021 1.075 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.186 1.819 0.059 0.00 0.00 +0.026 A ATOM 19 C LIG 1 3.575 0.569 -0.135 0.00 0.00 +0.052 A ATOM 20 C LIG 1 3.951 -0.470 0.728 0.00 0.00 +0.026 A ATOM 21 C LIG 1 4.894 -0.271 1.745 0.00 0.00 +0.005 A BRANCH 16 23 ATOM 22 C LIG 1 7.924 0.898 2.520 0.00 0.00 +0.009 C ATOM 23 C LIG 1 6.515 1.187 3.014 0.00 0.00 +0.032 C ENDBRANCH 16 23 ENDBRANCH 10 19 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 24 ATOM 24 O LIG 1 -4.765 -0.744 -0.240 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 -4.650 0.065 0.946 0.00 0.00 +0.200 C ATOM 26 C LIG 1 -5.054 -0.822 2.140 0.00 0.00 +0.067 C ATOM 27 C LIG 1 -5.736 1.154 0.839 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 -3.306 0.773 1.270 0.00 0.00 +0.348 C ATOM 29 O LIG 1 -3.013 1.934 1.021 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -2.396 -0.024 1.872 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -1.587 0.527 1.912 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8