REMARK Name = BDB004694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.163 1.566 2.232 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.063 1.500 1.350 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -0.909 0.377 1.384 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.039 0.294 0.559 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.307 1.341 -0.323 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.469 2.458 -0.372 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.353 2.537 0.458 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -2.828 -0.872 0.659 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -2.540 -1.542 1.355 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -4.067 -1.106 0.078 0.00 0.00 +0.308 C ATOM 11 N LIG 1 -4.455 -2.420 0.305 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.722 -3.052 0.585 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -4.720 -0.277 -0.541 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 -5.691 -3.018 -0.016 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -5.791 -4.407 0.139 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -6.985 -5.074 -0.148 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -8.094 -4.357 -0.588 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.007 -2.975 -0.738 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -6.812 -2.308 -0.451 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 2.305 0.940 1.569 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.992 0.224 0.919 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 6.268 1.571 -1.149 0.00 0.00 +0.063 A ATOM 23 C LIG 1 5.170 2.119 -0.451 0.00 0.00 +0.088 A ATOM 24 C LIG 1 4.310 1.224 0.216 0.00 0.00 +0.041 A ATOM 25 C LIG 1 3.207 1.789 0.894 0.00 0.00 +0.130 A ATOM 26 N LIG 1 3.012 3.114 0.949 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 3.884 3.878 0.296 0.00 0.00 +0.223 A ATOM 28 C LIG 1 4.577 -0.170 0.192 0.00 0.00 +0.013 A ATOM 29 C LIG 1 5.666 -0.687 -0.496 0.00 0.00 +0.002 A ATOM 30 N LIG 1 4.938 3.449 -0.406 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 6.507 0.183 -1.169 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 7.065 3.751 -1.966 0.00 0.00 -0.325 N ATOM 33 H LIG 1 7.740 4.322 -2.452 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 6.293 4.189 -1.472 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 7.256 2.403 -1.908 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.220 1.897 -2.474 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6