REMARK Name = BDB011858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.095 1.149 1.359 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -2.351 0.267 1.347 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -2.840 0.026 2.784 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -2.183 -1.010 0.616 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -3.340 -1.620 0.113 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -4.460 -1.155 0.339 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -0.964 -1.712 0.855 0.00 0.00 +0.058 A ATOM 8 C LIG 1 0.286 -1.197 0.425 0.00 0.00 +0.058 A ATOM 9 C LIG 1 1.437 -1.946 0.709 0.00 0.00 +0.025 A ATOM 10 C LIG 1 1.365 -3.163 1.393 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.138 -3.658 1.811 0.00 0.00 +0.002 A ATOM 12 N LIG 1 0.391 0.041 -0.301 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -1.021 -2.934 1.549 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.470 1.111 -0.042 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -0.704 2.010 -0.856 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -3.163 -2.796 -0.861 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -4.479 -3.570 -1.076 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -4.616 -4.097 -2.499 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -3.343 -4.506 -2.984 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -2.463 -3.405 -3.207 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.635 -2.272 -2.199 0.00 0.00 +0.041 C ENDBRANCH 5 16 BRANCH 1 23 ATOM 22 C LIG 1 -0.460 3.346 2.276 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -1.405 2.557 1.649 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -1.964 3.014 0.938 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 0.515 2.865 2.853 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -0.760 4.870 2.280 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -0.894 5.423 0.864 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -0.102 6.700 3.744 0.00 0.00 +0.101 C ATOM 29 N LIG 1 0.358 5.567 2.955 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 0.820 4.890 3.573 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 12 31 ATOM 31 C LIG 1 1.140 0.077 -1.572 0.00 0.00 +0.150 C BRANCH 31 32 ATOM 32 C LIG 1 2.660 -0.013 -1.508 0.00 0.00 -0.016 A ATOM 33 C LIG 1 3.432 0.897 -0.709 0.00 0.00 +0.005 A ATOM 34 C LIG 1 4.832 0.711 -0.672 0.00 0.00 +0.071 A ATOM 35 C LIG 1 5.620 1.540 0.116 0.00 0.00 +0.028 A ATOM 36 C LIG 1 5.076 2.577 0.871 0.00 0.00 +0.002 A ATOM 37 C LIG 1 3.711 2.803 0.826 0.00 0.00 +0.001 A ATOM 38 N LIG 1 5.458 -0.233 -1.379 0.00 0.00 -0.255 NA ATOM 39 C LIG 1 4.712 -1.022 -2.180 0.00 0.00 +0.115 A ATOM 40 C LIG 1 2.904 1.980 0.039 0.00 0.00 +0.010 A ATOM 41 C LIG 1 3.323 -0.988 -2.300 0.00 0.00 -0.021 A BRANCH 41 42 ATOM 42 C LIG 1 2.622 -1.902 -3.288 0.00 0.00 +0.021 C ATOM 43 C LIG 1 1.824 -3.092 -2.809 0.00 0.00 +0.009 C ATOM 44 C LIG 1 3.110 -3.313 -3.538 0.00 0.00 +0.009 C ENDBRANCH 41 42 ENDBRANCH 31 32 ENDBRANCH 12 31 TORSDOF 7