REMARK Name = BDB024877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.119 0.018 0.740 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.967 -0.703 0.376 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.111 -2.119 -0.021 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.427 -2.241 -1.517 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.908 -2.957 0.401 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.639 -2.413 -0.214 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.517 -0.932 0.011 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.240 -0.330 -0.088 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.037 -0.920 -0.377 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.865 0.040 -0.365 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.282 1.252 -0.039 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -1.077 1.033 0.107 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -2.162 1.863 0.380 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.429 1.265 0.461 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.644 -0.114 0.291 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.166 1.166 1.165 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.959 2.528 0.146 0.00 0.00 +0.115 C ATOM 18 C LIG 1 0.802 3.100 1.561 0.00 0.00 +0.184 C ATOM 19 O LIG 1 1.647 4.235 1.781 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 1.780 5.124 0.669 0.00 0.00 +0.160 C ATOM 21 C LIG 1 0.662 4.996 -0.359 0.00 0.00 +0.030 C ATOM 22 C LIG 1 0.594 3.575 -0.920 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -8.467 -0.041 0.941 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -7.263 -0.720 0.581 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 2.312 -0.203 -0.681 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 2.962 -1.175 0.321 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 4.323 -1.650 -0.170 0.00 0.00 -0.031 A ATOM 28 C LIG 1 5.387 -0.758 -0.365 0.00 0.00 +0.043 A ATOM 29 C LIG 1 6.620 -1.223 -0.820 0.00 0.00 +0.127 A ATOM 30 F LIG 1 7.612 -0.341 -1.007 0.00 0.00 -0.205 F ATOM 31 C LIG 1 6.835 -2.577 -1.082 0.00 0.00 -0.015 A ATOM 32 C LIG 1 8.161 -3.046 -1.596 0.00 0.00 +0.047 C ATOM 33 C LIG 1 5.774 -3.469 -0.899 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.533 -3.011 -0.443 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 35 ATOM 35 C LIG 1 3.059 -0.605 1.725 0.00 0.00 +0.313 C ATOM 36 O LIG 1 3.047 -1.247 2.764 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 3.257 0.730 1.774 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 3.365 0.908 2.735 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 26 35 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7