REMARK Name = BDB024795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.259 -4.224 -0.722 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.240 -2.850 -1.015 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.249 -2.369 -1.984 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.661 -2.378 -1.376 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.987 -0.963 -2.547 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.506 -0.743 -2.770 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.828 -0.889 -1.439 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.799 -0.020 -1.022 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.255 1.057 -1.678 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.340 1.553 -0.870 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.252 0.807 0.289 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.200 -0.192 0.219 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.582 -1.208 1.098 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.596 -2.075 0.670 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.211 -1.948 -0.584 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.150 -4.985 -1.093 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.147 -6.081 0.194 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.162 -4.674 -0.047 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.591 1.090 1.435 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.080 0.725 1.288 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.398 -0.690 1.591 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 2.220 -1.538 0.407 0.00 0.00 +0.105 C BRANCH 21 23 ATOM 23 C LIG 1 3.741 -0.829 2.211 0.00 0.00 +0.061 C ATOM 24 C LIG 1 4.927 -0.416 1.320 0.00 0.00 +0.047 C ATOM 25 C LIG 1 6.229 -0.853 1.977 0.00 0.00 +0.161 C ATOM 26 O LIG 1 6.325 -2.263 2.175 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 5.089 -2.973 2.139 0.00 0.00 +0.161 C ATOM 28 C LIG 1 3.967 -2.222 2.837 0.00 0.00 +0.047 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 0.469 2.773 -1.163 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -0.242 4.036 -0.673 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 0.635 5.207 -0.720 0.00 0.00 -0.315 N ATOM 32 C LIG 1 1.595 5.350 0.283 0.00 0.00 +0.251 A ATOM 33 O LIG 1 1.769 4.548 1.199 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 2.458 6.559 0.191 0.00 0.00 +0.070 A ATOM 35 C LIG 1 2.313 7.413 -0.831 0.00 0.00 +0.007 A ATOM 36 C LIG 1 1.322 7.175 -1.849 0.00 0.00 +0.018 A ATOM 37 C LIG 1 0.525 6.102 -1.770 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8