REMARK Name = BDB016240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.975 2.183 0.681 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -4.547 0.779 0.259 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -3.160 0.674 0.572 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -2.478 -0.330 -0.057 0.00 0.00 +0.145 A ATOM 5 C LIG 1 -2.984 -1.551 -0.521 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -2.104 -2.425 -1.181 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -0.752 -2.109 -1.343 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.244 -0.913 -0.847 0.00 0.00 +0.124 A ATOM 9 N LIG 1 -4.299 -2.031 -0.386 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -4.508 -2.926 -0.813 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -5.382 -1.542 0.272 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -6.427 -2.197 0.250 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.110 -0.032 -0.205 0.00 0.00 +0.093 A ATOM 14 C LIG 1 -5.298 -0.267 1.052 0.00 0.00 +0.140 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 1.092 -0.726 -1.058 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 1.677 0.463 -0.523 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 3.185 0.455 -0.831 0.00 0.00 +0.027 C ATOM 18 C LIG 1 3.858 -0.802 -0.242 0.00 0.00 +0.007 C ATOM 19 C LIG 1 5.348 -0.585 -0.010 0.00 0.00 +0.000 C ATOM 20 C LIG 1 5.606 0.538 0.995 0.00 0.00 +0.000 C ATOM 21 C LIG 1 4.516 1.612 1.002 0.00 0.00 +0.000 C ATOM 22 C LIG 1 3.857 1.760 -0.365 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 TORSDOF 3