REMARK Name = BDB024334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.799 -0.356 -0.476 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.945 -1.773 0.083 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.457 -2.881 -0.629 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.584 -4.169 -0.110 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.208 -4.366 1.121 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.711 -3.277 1.830 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.585 -1.986 1.314 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.702 0.017 -0.751 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.537 -0.343 0.303 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.156 -0.947 1.017 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.061 0.616 -1.762 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.903 -0.053 0.401 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.505 0.756 -0.483 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -4.830 1.000 -0.327 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -5.614 0.475 0.693 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.965 -0.353 1.609 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.600 -0.619 1.464 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -7.030 0.769 0.817 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -7.857 1.175 -0.210 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -9.102 1.327 0.331 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -9.958 1.613 -0.133 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -9.151 1.047 1.643 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -7.894 0.707 1.937 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 1.662 -0.239 -1.671 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 2.552 -0.694 -1.465 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 1.935 1.137 -2.108 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 3.076 3.372 -1.784 0.00 0.00 +0.014 C ATOM 28 C LIG 1 2.776 2.013 -1.140 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 4.067 1.353 -0.675 0.00 0.00 -0.043 A ATOM 30 C LIG 1 5.006 0.848 -1.588 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.180 0.237 -1.138 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.435 0.129 0.231 0.00 0.00 +0.052 A ATOM 33 C LIG 1 5.512 0.638 1.148 0.00 0.00 +0.019 A ATOM 34 C LIG 1 4.338 1.247 0.698 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 7.638 -0.498 0.694 0.00 0.00 +0.099 C ATOM 36 N LIG 1 8.610 -1.006 1.074 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9