REMARK Name = BDB059646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.281 -0.723 0.185 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.708 -1.831 0.476 0.00 0.00 +0.279 A ATOM 3 O LIG 1 0.399 -2.977 0.771 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 2.060 -1.454 0.384 0.00 0.00 -0.179 N ATOM 5 C LIG 1 2.504 -0.187 0.059 0.00 0.00 +0.156 A ATOM 6 C LIG 1 3.877 -0.236 0.077 0.00 0.00 +0.114 A ATOM 7 C LIG 1 4.184 -1.564 0.421 0.00 0.00 +0.156 A ATOM 8 N LIG 1 1.581 0.768 -0.192 0.00 0.00 -0.338 N ATOM 9 H LIG 1 1.846 1.725 -0.438 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 3.093 -2.313 0.610 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.223 0.498 -0.128 0.00 0.00 +0.060 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -0.649 1.639 -0.426 0.00 0.00 +0.035 A ATOM 13 C LIG 1 -1.087 1.927 -1.706 0.00 0.00 +0.124 A ATOM 14 N LIG 1 -1.888 2.970 -2.009 0.00 0.00 -0.243 NA ATOM 15 C LIG 1 -2.256 3.743 -0.976 0.00 0.00 +0.221 A ATOM 16 N LIG 1 -1.897 3.567 0.306 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 -1.096 2.510 0.551 0.00 0.00 +0.124 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -2.182 -1.493 1.683 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -1.761 -1.077 0.271 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -2.172 -2.126 -0.766 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 4.780 0.826 -0.194 0.00 0.00 +0.104 C ATOM 22 N LIG 1 5.504 1.705 -0.418 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3