REMARK Name = BDB025127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.005 -1.268 0.977 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.743 -1.831 0.715 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.559 -3.302 0.787 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.280 -4.013 -0.373 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.096 -3.775 0.770 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.224 -2.850 1.586 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.320 -1.485 0.972 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.190 -0.652 0.836 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.112 -0.904 1.171 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.803 0.174 0.852 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.026 1.144 0.316 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.312 0.619 0.296 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.543 1.119 -0.139 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.663 0.289 0.005 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.580 -0.997 0.557 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.279 -0.072 0.991 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.284 2.472 -0.214 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.357 3.289 0.524 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.422 4.745 0.020 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.038 4.893 -1.458 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.339 3.625 -2.249 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.534 2.430 -1.734 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 0.596 5.694 0.860 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.908 6.836 1.155 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.597 5.197 1.230 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.016 5.924 1.738 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -8.240 -1.696 1.579 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.945 -2.216 1.275 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.280 0.256 1.088 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 3.128 0.088 -0.186 0.00 0.00 -0.004 C ATOM 31 C LIG 1 2.845 -1.260 -0.884 0.00 0.00 +0.006 C ATOM 32 C LIG 1 4.005 -1.678 -1.777 0.00 0.00 +0.032 C ATOM 33 C LIG 1 5.292 -1.915 -0.970 0.00 0.00 +0.118 C ATOM 34 C LIG 1 5.348 -1.064 0.308 0.00 0.00 +0.032 C ATOM 35 C LIG 1 4.629 0.271 0.129 0.00 0.00 +0.006 C BRANCH 33 36 ATOM 36 O LIG 1 6.438 -1.582 -1.765 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 6.722 -2.545 -2.772 0.00 0.00 +0.194 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7