REMARK Name = BDB024630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.847 0.155 -1.184 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.715 -0.597 -0.821 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.867 -2.051 -0.606 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.287 -2.352 0.838 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.626 -2.825 -1.037 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.412 -2.353 -0.271 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.296 -0.856 -0.302 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.040 -0.263 -0.036 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.153 -0.874 0.249 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.045 0.084 0.395 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.452 1.325 0.247 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.885 1.114 -0.044 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.955 1.967 -0.307 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.203 1.375 -0.559 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.410 -0.015 -0.567 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.879 1.344 -1.479 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.064 2.644 0.344 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -1.821 2.906 1.652 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -2.308 4.253 1.693 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -3.224 4.527 0.632 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.534 4.390 -0.720 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.916 3.003 -0.883 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.174 0.109 -1.559 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.990 -0.601 -1.194 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.493 -0.175 0.684 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.964 -1.546 0.162 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.380 -1.849 0.638 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.479 -1.092 0.203 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.766 -1.378 0.662 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.970 -2.422 1.562 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.889 -3.182 2.002 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.601 -2.898 1.544 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.847 -1.680 -1.347 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.711 -2.725 -1.968 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.994 -0.523 -2.029 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.888 -0.813 -2.961 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7