REMARK Name = BDB008099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.797 1.147 -0.347 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -2.285 1.229 -0.128 0.00 0.00 +0.278 A ATOM 3 O LIG 1 -2.918 2.277 -0.086 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.924 -0.015 0.031 0.00 0.00 -0.179 N ATOM 5 C LIG 1 -2.284 -1.240 -0.015 0.00 0.00 +0.156 A ATOM 6 C LIG 1 -3.251 -2.194 0.181 0.00 0.00 +0.114 A ATOM 7 C LIG 1 -4.445 -1.468 0.338 0.00 0.00 +0.156 A ATOM 8 N LIG 1 -0.950 -1.254 -0.229 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -0.406 -2.117 -0.288 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 -4.263 -0.147 0.248 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 -0.230 -0.082 -0.392 0.00 0.00 +0.057 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 1.220 -0.264 -0.613 0.00 0.00 +0.002 A ATOM 13 C LIG 1 2.116 -0.488 0.453 0.00 0.00 -0.041 A ATOM 14 C LIG 1 1.651 -0.573 1.881 0.00 0.00 +0.044 C ATOM 15 C LIG 1 3.477 -0.679 0.167 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.945 -0.643 -1.148 0.00 0.00 +0.000 A ATOM 17 C LIG 1 3.058 -0.424 -2.197 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.701 -0.241 -1.933 0.00 0.00 +0.010 A ENDBRANCH 11 12 BRANCH 1 20 ATOM 19 C LIG 1 0.132 3.195 0.792 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -0.100 2.473 -0.528 0.00 0.00 +0.039 C ENDBRANCH 1 20 BRANCH 6 21 ATOM 21 C LIG 1 -3.076 -3.604 0.218 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -2.923 -4.754 0.248 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3