REMARK Name = BDB013716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.318 -0.365 -0.002 0.00 0.00 +0.147 A ATOM 2 C LIG 1 2.483 -0.318 -0.927 0.00 0.00 +0.029 A ATOM 3 C LIG 1 3.539 0.524 -0.600 0.00 0.00 +0.051 A ATOM 4 C LIG 1 4.653 0.626 -1.447 0.00 0.00 +0.014 A ATOM 5 C LIG 1 4.713 -0.132 -2.616 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.668 -0.997 -2.934 0.00 0.00 +0.001 A ATOM 7 C LIG 1 3.494 1.291 0.655 0.00 0.00 +0.275 A ATOM 8 O LIG 1 4.408 2.070 0.918 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 2.400 1.058 1.476 0.00 0.00 -0.230 N ATOM 10 C LIG 1 2.265 1.780 2.727 0.00 0.00 +0.176 C ATOM 11 C LIG 1 2.556 -1.096 -2.092 0.00 0.00 +0.012 A ATOM 12 N LIG 1 1.327 0.283 1.128 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.202 -1.102 -0.360 0.00 0.00 -0.323 N ATOM 14 H LIG 1 0.042 -1.224 -1.352 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 C LIG 1 -1.879 0.194 0.139 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -1.037 -1.083 0.434 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -1.911 -2.262 -0.015 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -2.904 -1.707 -1.034 0.00 0.00 +0.003 C ATOM 19 C LIG 1 -2.650 -0.206 -1.131 0.00 0.00 +0.021 C BRANCH 15 21 ATOM 20 C LIG 1 -3.784 -0.170 1.723 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -2.699 0.688 1.269 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -3.189 2.045 1.024 0.00 0.00 +0.104 C ENDBRANCH 15 21 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 3