REMARK Name = BDB042464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.439 0.218 -0.309 0.00 0.00 -0.327 N ATOM 2 C LIG 1 -3.005 -0.589 0.861 0.00 0.00 +0.124 C ATOM 3 C LIG 1 -1.750 -1.457 0.538 0.00 0.00 +0.074 C ATOM 4 N LIG 1 -0.644 -0.546 0.145 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -1.102 -0.141 -1.209 0.00 0.00 +0.074 C ATOM 6 C LIG 1 -1.542 -1.453 -1.871 0.00 0.00 +0.022 C ATOM 7 C LIG 1 -1.998 -2.327 -0.702 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -2.313 0.835 -1.066 0.00 0.00 +0.124 C ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -7.016 2.501 -0.066 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -6.327 2.381 -1.270 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.148 1.626 -1.334 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.610 0.979 -0.206 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -5.341 1.101 0.988 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -6.521 1.855 1.065 0.00 0.00 +0.020 A BRANCH 9 16 ATOM 15 N LIG 1 -9.199 3.894 0.069 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 -8.222 3.270 0.008 0.00 0.00 +0.099 C ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 C LIG 1 0.683 -1.175 0.130 0.00 0.00 +0.085 C BRANCH 17 18 ATOM 18 C LIG 1 1.254 -1.285 1.551 0.00 0.00 +0.021 C BRANCH 18 19 ATOM 19 C LIG 1 2.618 -1.987 1.606 0.00 0.00 +0.054 C BRANCH 19 20 ATOM 20 C LIG 1 3.713 -1.267 0.859 0.00 0.00 +0.020 A ATOM 21 N LIG 1 3.953 -1.659 -0.437 0.00 0.00 -0.326 N ATOM 22 H LIG 1 3.409 -2.405 -0.856 0.00 0.00 +0.169 HD ATOM 23 C LIG 1 4.914 -1.119 -1.268 0.00 0.00 +0.259 A ATOM 24 O LIG 1 5.048 -1.531 -2.413 0.00 0.00 -0.267 OA ATOM 25 C LIG 1 5.745 -0.036 -0.690 0.00 0.00 +0.082 A ATOM 26 C LIG 1 5.509 0.356 0.638 0.00 0.00 -0.008 A ATOM 27 C LIG 1 6.285 1.376 1.204 0.00 0.00 +0.009 A ATOM 28 C LIG 1 7.286 1.998 0.454 0.00 0.00 +0.003 A ATOM 29 C LIG 1 7.515 1.603 -0.864 0.00 0.00 +0.039 A ATOM 30 C LIG 1 6.745 0.589 -1.431 0.00 0.00 +0.136 A ATOM 31 F LIG 1 7.001 0.243 -2.701 0.00 0.00 -0.205 F ATOM 32 C LIG 1 4.456 -0.299 1.418 0.00 0.00 +0.030 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 6