REMARK Name = BDB039426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.688 0.902 -0.108 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -2.594 2.153 0.533 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -3.503 3.198 0.867 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -2.793 4.190 1.508 0.00 0.00 +0.088 A ATOM 5 N LIG 1 -1.485 3.787 1.577 0.00 0.00 -0.335 N ATOM 6 C LIG 1 -0.405 4.529 2.182 0.00 0.00 +0.150 C ATOM 7 C LIG 1 -1.342 2.555 0.990 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -0.181 1.881 0.892 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -0.286 0.672 0.291 0.00 0.00 +0.074 A ATOM 10 C LIG 1 -1.488 0.172 -0.218 0.00 0.00 +0.034 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 0.982 -0.090 0.200 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.205 0.589 -0.003 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.384 -0.134 -0.090 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.783 0.345 -0.282 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.537 -0.900 -0.363 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.743 -2.007 -0.099 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.089 -3.168 0.007 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.365 -1.520 0.029 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.204 -2.232 0.241 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.010 -1.505 0.326 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.992 -0.965 -0.316 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.553 -0.545 1.053 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.876 -0.384 2.065 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.914 -0.338 1.090 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.271 -0.045 1.990 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.699 0.013 0.022 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.793 0.545 0.188 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.156 -0.308 -1.350 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.648 -0.117 -1.402 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 9 11 BRANCH 1 30 ATOM 30 C LIG 1 -3.970 0.329 -0.667 0.00 0.00 +0.120 C BRANCH 30 32 ATOM 31 C LIG 1 -5.394 -1.695 -0.745 0.00 0.00 +0.083 C ATOM 32 N LIG 1 -4.322 -0.953 -0.058 0.00 0.00 -0.293 NA ATOM 33 C LIG 1 -4.717 -0.850 1.348 0.00 0.00 +0.085 C ATOM 34 C LIG 1 -5.464 -2.150 1.629 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -5.655 -2.811 0.269 0.00 0.00 +0.022 C BRANCH 31 36 ATOM 36 C LIG 1 -6.683 -0.913 -1.083 0.00 0.00 +0.178 C BRANCH 36 38 ATOM 37 C LIG 1 -8.823 -1.114 -2.058 0.00 0.00 +0.194 C ATOM 38 O LIG 1 -7.613 -1.784 -1.734 0.00 0.00 -0.381 OA ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 6