REMARK Name = BDB018363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 -0.854 -0.448 0.00 0.00 +0.009 A ATOM 2 C LIG 1 1.359 -0.588 -0.225 0.00 0.00 -0.004 A ATOM 3 C LIG 1 2.237 -1.608 -0.202 0.00 0.00 +0.079 A ATOM 4 C LIG 1 1.799 -3.010 -0.407 0.00 0.00 +0.252 A ATOM 5 O LIG 1 2.636 -3.908 -0.385 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 0.438 -3.193 -0.613 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -0.077 -4.535 -0.830 0.00 0.00 +0.152 C ATOM 8 C LIG 1 -0.453 -2.133 -0.631 0.00 0.00 +0.098 A ENDROOT BRANCH 1 15 ATOM 9 C LIG 1 -2.611 -0.415 1.512 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -2.125 0.371 0.350 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -2.752 1.509 -0.100 0.00 0.00 -0.271 N ATOM 12 C LIG 1 -3.948 2.119 0.434 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -2.138 2.085 -1.149 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 -1.087 1.296 -1.377 0.00 0.00 +0.143 A ATOM 15 C LIG 1 -1.035 0.205 -0.487 0.00 0.00 +0.024 A ENDBRANCH 1 15 BRANCH 2 16 ATOM 16 C LIG 1 1.929 0.755 0.016 0.00 0.00 -0.017 A ATOM 17 C LIG 1 1.707 1.406 1.236 0.00 0.00 +0.008 A ATOM 18 C LIG 1 2.238 2.677 1.463 0.00 0.00 +0.001 A ATOM 19 C LIG 1 2.993 3.305 0.473 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.219 2.665 -0.745 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.688 1.394 -0.974 0.00 0.00 +0.008 A ENDBRANCH 2 16 TORSDOF 2