REMARK Name = BDB039371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.115 0.577 -0.623 0.00 0.00 -0.014 A ATOM 2 C LIG 1 2.372 0.439 -1.242 0.00 0.00 +0.014 A ATOM 3 C LIG 1 3.516 0.565 -0.472 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.948 0.502 -0.880 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.654 0.584 0.400 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.780 0.915 1.431 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.045 1.231 2.575 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.421 0.831 0.889 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.212 0.990 1.535 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.051 0.863 0.765 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -2.401 -0.503 -1.679 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -2.551 0.109 -2.869 0.00 0.00 +0.097 A ATOM 13 N LIG 1 -1.517 0.890 -3.369 0.00 0.00 -0.306 N ATOM 14 C LIG 1 -0.305 1.092 -2.716 0.00 0.00 +0.145 A ATOM 15 N LIG 1 0.491 1.866 -3.434 0.00 0.00 -0.235 NA ATOM 16 C LIG 1 -0.217 2.180 -4.563 0.00 0.00 +0.131 A ATOM 17 C LIG 1 -0.124 0.457 -1.436 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -1.458 1.590 -4.548 0.00 0.00 +0.112 A ATOM 19 C LIG 1 -1.133 -0.318 -0.967 0.00 0.00 +0.018 A BRANCH 11 20 ATOM 20 C LIG 1 -3.459 -1.381 -1.052 0.00 0.00 +0.121 C BRANCH 20 25 ATOM 21 C LIG 1 -7.829 0.266 0.853 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -6.585 -0.311 1.554 0.00 0.00 -0.033 C ATOM 23 C LIG 1 -6.216 -1.661 0.891 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -4.714 -1.936 0.963 0.00 0.00 +0.085 C ATOM 25 N LIG 1 -3.897 -0.922 0.277 0.00 0.00 -0.298 NA ATOM 26 C LIG 1 -4.542 0.401 0.213 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -5.402 0.682 1.446 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -6.927 -0.523 3.040 0.00 0.00 +0.011 C ENDBRANCH 20 25 ENDBRANCH 11 20 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 7.103 0.803 0.490 0.00 0.00 +0.163 C ATOM 30 C LIG 1 7.832 0.391 -0.799 0.00 0.00 +0.240 C ATOM 31 O LIG 1 7.799 1.065 -1.828 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 8.408 -0.858 -0.813 0.00 0.00 -0.255 N ATOM 33 H LIG 1 8.802 -1.151 -1.697 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.312 -1.833 0.146 0.00 0.00 +0.219 C ATOM 35 O LIG 1 8.675 -2.982 -0.088 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 7.686 -1.435 1.460 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.761 0.070 1.666 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4