REMARK Name = BDB064451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.215 -1.008 -0.461 0.00 0.00 +0.217 A ATOM 2 N LIG 1 2.248 -1.917 -0.315 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 0.997 -1.475 -0.167 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.671 -0.118 -0.136 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.688 0.274 0.005 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -1.720 -0.667 0.132 0.00 0.00 -0.017 A ATOM 7 C LIG 1 -1.364 -2.018 0.110 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.760 0.760 -0.261 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -0.026 -2.404 -0.039 0.00 0.00 +0.029 A ATOM 10 N LIG 1 3.016 0.312 -0.430 0.00 0.00 -0.199 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.123 -0.249 0.277 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -4.116 -0.734 -0.590 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -5.449 -0.337 -0.454 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.812 0.552 0.554 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.843 1.045 1.425 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.511 0.648 1.286 0.00 0.00 +0.008 A ENDBRANCH 6 11 BRANCH 1 18 ATOM 17 C LIG 1 5.544 -0.736 -0.040 0.00 0.00 +0.128 C ATOM 18 N LIG 1 4.492 -1.525 -0.637 0.00 0.00 -0.316 N ATOM 19 H LIG 1 4.443 -2.491 -0.333 0.00 0.00 +0.149 HD ENDBRANCH 1 18 BRANCH 8 20 ATOM 20 N LIG 1 1.531 2.156 -0.226 0.00 0.00 -0.332 N ATOM 21 H LIG 1 1.029 2.380 0.629 0.00 0.00 +0.147 HD ATOM 22 C LIG 1 2.727 2.970 -0.373 0.00 0.00 +0.127 C ENDBRANCH 8 20 TORSDOF 3