REMARK Name = BDB018306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.064 1.162 -0.015 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -1.135 0.370 -0.342 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -2.236 0.984 -0.814 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -2.277 2.451 -1.024 0.00 0.00 +0.252 A ATOM 5 O LIG 1 -3.298 2.962 -1.475 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 -1.122 3.140 -0.680 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -1.076 4.583 -0.854 0.00 0.00 +0.152 C ATOM 8 C LIG 1 0.003 2.497 -0.195 0.00 0.00 +0.098 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 4.012 -1.763 0.622 0.00 0.00 +0.172 C ATOM 10 N LIG 1 3.014 -0.731 0.760 0.00 0.00 -0.274 N ATOM 11 N LIG 1 3.097 0.141 1.783 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 2.026 0.922 1.617 0.00 0.00 +0.143 A ATOM 13 C LIG 1 1.264 0.558 0.485 0.00 0.00 +0.022 A ATOM 14 C LIG 1 1.944 -0.510 -0.058 0.00 0.00 +0.116 A ENDBRANCH 1 13 BRANCH 2 15 ATOM 15 C LIG 1 -1.254 -1.092 -0.150 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -1.300 -1.956 -1.254 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -1.409 -3.335 -1.067 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.471 -3.861 0.223 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.426 -3.011 1.326 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -1.319 -1.631 1.142 0.00 0.00 +0.008 A ENDBRANCH 2 15 TORSDOF 2