REMARK Name = BDB036933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.255 0.340 -0.750 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -0.908 0.227 -0.478 0.00 0.00 -0.265 N ATOM 3 C LIG 1 0.076 0.534 -1.507 0.00 0.00 +0.126 C ATOM 4 C LIG 1 1.307 -0.394 -1.449 0.00 0.00 +0.104 C ATOM 5 N LIG 1 1.857 -0.641 -0.104 0.00 0.00 -0.288 NA ATOM 6 C LIG 1 1.122 0.039 0.968 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -0.397 -0.177 0.831 0.00 0.00 +0.126 C ATOM 8 O LIG 1 -2.700 0.716 -1.826 0.00 0.00 -0.226 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.327 -0.597 -0.032 0.00 0.00 +0.144 C ATOM 10 C LIG 1 3.850 -1.360 1.206 0.00 0.00 +0.236 C ATOM 11 O LIG 1 3.255 -2.277 1.767 0.00 0.00 -0.274 OA ATOM 12 N LIG 1 5.102 -0.994 1.652 0.00 0.00 -0.255 N ATOM 13 H LIG 1 5.451 -1.513 2.446 0.00 0.00 +0.158 HD ATOM 14 C LIG 1 5.929 -0.019 1.157 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.041 0.176 1.641 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 5.427 0.747 -0.041 0.00 0.00 +0.098 C ATOM 17 C LIG 1 3.908 0.822 -0.045 0.00 0.00 +0.037 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 O LIG 1 -3.016 -0.014 0.318 0.00 0.00 -0.445 OA BRANCH 18 20 ATOM 19 C LIG 1 -4.927 -0.449 1.639 0.00 0.00 +0.055 C ATOM 20 C LIG 1 -4.464 0.020 0.251 0.00 0.00 +0.107 C ATOM 21 C LIG 1 -4.979 1.444 0.019 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -4.997 -0.962 -0.799 0.00 0.00 +0.055 C ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 3