REMARK Name = BDB036782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.338 0.115 -0.067 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.894 0.051 0.846 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.694 0.819 -1.062 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -1.276 1.253 -2.049 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 -6.180 -2.299 0.577 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -5.210 -1.579 0.360 0.00 0.00 +0.219 C ATOM 7 N LIG 1 -4.502 -1.021 1.395 0.00 0.00 -0.255 N ATOM 8 H LIG 1 -4.787 -1.324 2.317 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -3.240 -0.488 1.313 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -2.534 -0.366 2.314 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 -2.785 -0.047 -0.082 0.00 0.00 +0.160 C ATOM 12 C LIG 1 -3.240 -1.086 -1.102 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -4.752 -1.232 -1.037 0.00 0.00 +0.098 C ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 0.760 1.073 -0.866 0.00 0.00 +0.037 A ATOM 15 C LIG 1 1.563 0.236 -0.074 0.00 0.00 +0.017 A ATOM 16 C LIG 1 2.939 0.481 0.109 0.00 0.00 -0.044 A ATOM 17 C LIG 1 3.476 1.603 -0.549 0.00 0.00 +0.004 A ATOM 18 C LIG 1 2.691 2.434 -1.354 0.00 0.00 +0.001 A ATOM 19 C LIG 1 1.335 2.167 -1.516 0.00 0.00 +0.013 A BRANCH 16 20 ATOM 20 C LIG 1 3.761 -0.455 0.978 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.890 0.064 1.837 0.00 0.00 +0.009 C ATOM 22 C LIG 1 5.194 -0.785 0.636 0.00 0.00 +0.009 C ENDBRANCH 16 20 ENDBRANCH 3 14 TORSDOF 3