REMARK Name = BDB036878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.109 1.193 -0.111 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.871 0.052 -0.054 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.406 -0.842 -0.214 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.617 2.311 -0.117 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.320 0.078 -0.157 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.822 -1.329 -0.501 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -2.095 -2.215 -0.950 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -4.161 -1.555 -0.294 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.481 -2.490 -0.509 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.978 -0.846 0.549 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -6.061 -1.300 0.907 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.490 0.518 0.976 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.978 0.536 1.140 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 15 ATOM 14 C LIG 1 2.063 -0.187 -0.343 0.00 0.00 +0.134 A ATOM 15 C LIG 1 1.384 1.040 -0.164 0.00 0.00 +0.078 A ATOM 16 C LIG 1 2.130 2.228 -0.031 0.00 0.00 +0.019 A ATOM 17 C LIG 1 3.525 2.213 -0.065 0.00 0.00 +0.034 A ATOM 18 C LIG 1 4.187 0.996 -0.233 0.00 0.00 +0.130 A ATOM 19 C LIG 1 3.466 -0.200 -0.371 0.00 0.00 +0.079 A BRANCH 18 20 ATOM 20 N LIG 1 5.656 0.967 -0.266 0.00 0.00 +0.057 N ATOM 21 O LIG 1 6.258 2.039 -0.121 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 6.205 -0.131 -0.437 0.00 0.00 -0.126 OA ENDBRANCH 18 20 BRANCH 14 24 ATOM 23 C LIG 1 1.948 -2.536 -0.838 0.00 0.00 +0.277 C ATOM 24 O LIG 1 1.301 -1.320 -0.477 0.00 0.00 -0.494 OA ENDBRANCH 14 24 ENDBRANCH 1 15 TORSDOF 4