REMARK Name = BDB017833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.074 -2.649 0.535 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -1.357 -2.411 0.140 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.963 -3.604 -0.267 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.291 -3.635 -0.650 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -4.015 -2.438 -0.625 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.428 -1.227 -0.201 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.010 -4.753 -0.160 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.080 -1.224 0.192 0.00 0.00 +0.015 A ATOM 9 C LIG 1 0.339 -4.023 -0.114 0.00 0.00 +0.032 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.238 -0.016 -0.177 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -5.511 0.051 -0.743 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -5.904 1.274 -0.505 0.00 0.00 +0.110 A ATOM 13 C LIG 1 -7.106 2.089 -0.761 0.00 0.00 +0.076 C ATOM 14 C LIG 1 -6.882 3.280 0.207 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -5.365 3.333 0.473 0.00 0.00 +0.123 C ATOM 16 N LIG 1 -4.960 1.979 0.168 0.00 0.00 -0.334 N ATOM 17 C LIG 1 -3.891 1.199 0.403 0.00 0.00 +0.115 A ENDBRANCH 6 10 BRANCH 1 19 ATOM 18 C LIG 1 2.242 -1.495 0.515 0.00 0.00 +0.245 C ATOM 19 N LIG 1 0.965 -1.636 0.022 0.00 0.00 -0.305 N ATOM 20 H LIG 1 0.633 -1.043 -0.725 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 2.690 -2.159 1.441 0.00 0.00 -0.270 OA BRANCH 18 27 ATOM 22 C LIG 1 4.770 1.282 0.069 0.00 0.00 +0.037 A ATOM 23 C LIG 1 4.715 1.484 -1.330 0.00 0.00 -0.029 A ATOM 24 C LIG 1 5.567 2.509 -2.032 0.00 0.00 +0.045 C ATOM 25 C LIG 1 3.840 0.707 -2.110 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.025 -0.258 -1.522 0.00 0.00 +0.013 A ATOM 27 C LIG 1 3.078 -0.457 -0.142 0.00 0.00 +0.038 A ATOM 28 C LIG 1 3.954 0.301 0.645 0.00 0.00 +0.036 A BRANCH 22 31 ATOM 29 C LIG 1 6.886 3.050 2.654 0.00 0.00 +0.109 C ATOM 30 C LIG 1 5.774 2.131 2.211 0.00 0.00 +0.214 C ATOM 31 N LIG 1 5.664 2.070 0.833 0.00 0.00 -0.285 N ATOM 32 H LIG 1 6.262 2.699 0.316 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 5.064 1.570 3.036 0.00 0.00 -0.276 OA ENDBRANCH 22 31 ENDBRANCH 18 27 ENDBRANCH 1 19 TORSDOF 4