REMARK Name = BDB056204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.423 -0.486 0.729 0.00 0.00 +0.163 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.271 1.298 0.475 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.415 0.581 1.286 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.017 1.065 2.085 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.475 1.014 -0.703 0.00 0.00 -0.274 OA BRANCH 2 8 ATOM 6 C LIG 1 4.316 2.373 0.221 0.00 0.00 +0.237 C ATOM 7 N LIG 1 3.100 2.987 0.424 0.00 0.00 -0.288 N ATOM 8 C LIG 1 1.964 2.479 1.195 0.00 0.00 +0.162 C ATOM 9 C LIG 1 1.023 3.680 1.293 0.00 0.00 +0.033 C ATOM 10 C LIG 1 1.277 4.422 -0.016 0.00 0.00 +0.021 C ATOM 11 C LIG 1 2.771 4.236 -0.240 0.00 0.00 +0.109 C ATOM 12 O LIG 1 5.151 2.852 -0.553 0.00 0.00 -0.274 OA BRANCH 6 13 ATOM 13 C LIG 1 4.598 1.031 0.940 0.00 0.00 +0.162 C BRANCH 13 14 ATOM 14 N LIG 1 4.937 0.074 -0.109 0.00 0.00 -0.302 N ATOM 15 H LIG 1 5.440 0.442 -0.910 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 4.353 -1.171 -0.182 0.00 0.00 +0.230 C ATOM 17 O LIG 1 3.615 -1.623 0.694 0.00 0.00 -0.274 OA BRANCH 16 18 ATOM 18 C LIG 1 4.664 -1.939 -1.482 0.00 0.00 +0.135 C ATOM 19 C LIG 1 3.618 -1.579 -2.533 0.00 0.00 +0.033 C BRANCH 18 20 ATOM 20 N LIG 1 4.678 -3.388 -1.215 0.00 0.00 -0.320 NA ATOM 21 H LIG 1 3.908 -3.593 -0.571 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 4.489 -3.902 -2.071 0.00 0.00 +0.119 HD ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 13 14 BRANCH 13 24 ATOM 23 C LIG 1 5.275 1.997 3.186 0.00 0.00 +0.009 C ATOM 24 C LIG 1 5.707 1.115 2.012 0.00 0.00 +0.012 C ATOM 25 C LIG 1 7.066 1.580 1.482 0.00 0.00 +0.009 C ENDBRANCH 13 24 ENDBRANCH 6 13 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 26 ATOM 26 C LIG 1 -1.825 0.124 0.513 0.00 0.00 +0.234 C ATOM 27 N LIG 1 -2.671 -0.608 -0.291 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -2.474 -1.601 -0.379 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -2.160 1.191 1.031 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -4.072 -0.210 -0.449 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 C LIG 1 -4.884 -0.838 0.702 0.00 0.00 +0.231 C ATOM 32 O LIG 1 -4.544 -1.861 1.295 0.00 0.00 -0.274 OA ATOM 33 N LIG 1 -6.054 -0.216 1.026 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -6.449 0.535 0.473 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -6.633 -0.640 1.739 0.00 0.00 +0.145 HD ENDBRANCH 30 31 BRANCH 30 36 ATOM 36 C LIG 1 -4.609 -0.683 -1.809 0.00 0.00 +0.067 C BRANCH 36 37 ATOM 37 C LIG 1 -5.913 -0.031 -2.205 0.00 0.00 -0.045 A ATOM 38 C LIG 1 -7.114 -0.752 -2.155 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -8.321 -0.137 -2.491 0.00 0.00 +0.045 A ATOM 40 C LIG 1 -8.329 1.196 -2.884 0.00 0.00 +0.117 A ATOM 41 C LIG 1 -7.148 1.927 -2.948 0.00 0.00 +0.045 A ATOM 42 C LIG 1 -5.941 1.313 -2.609 0.00 0.00 +0.007 A BRANCH 40 43 ATOM 43 O LIG 1 -9.530 1.755 -3.202 0.00 0.00 -0.507 OA ATOM 44 H LIG 1 -9.380 2.667 -3.503 0.00 0.00 +0.292 HD ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 27 30 ENDBRANCH 1 26 BRANCH 1 45 ATOM 45 C LIG 1 -0.474 -1.682 1.693 0.00 0.00 +0.067 C BRANCH 45 46 ATOM 46 C LIG 1 -0.633 -3.010 0.988 0.00 0.00 -0.045 A ATOM 47 C LIG 1 0.393 -3.499 0.167 0.00 0.00 +0.004 A ATOM 48 C LIG 1 0.250 -4.717 -0.499 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -0.918 -5.461 -0.344 0.00 0.00 +0.000 A ATOM 50 C LIG 1 -1.938 -4.992 0.481 0.00 0.00 +0.000 A ATOM 51 C LIG 1 -1.795 -3.775 1.149 0.00 0.00 +0.004 A ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 15