REMARK Name = BDB038620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.933 0.277 -0.710 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.591 -0.008 -0.984 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.603 0.920 -0.683 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.927 2.123 -0.176 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.217 2.458 0.064 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.234 1.540 -0.190 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.243 0.603 -0.875 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.820 1.470 -0.623 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.856 2.628 -0.249 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.050 0.715 -0.902 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.699 -0.571 -1.297 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.676 -1.496 -1.613 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.015 -1.096 -1.526 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.372 0.216 -1.129 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.364 1.136 -0.807 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.215 -0.711 -1.295 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.828 0.611 -1.040 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.491 -0.106 0.051 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.980 0.088 0.913 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.884 0.321 0.192 0.00 0.00 +0.089 C BRANCH 20 21 ATOM 21 C LIG 1 8.590 -0.537 1.229 0.00 0.00 +0.054 C ATOM 22 C LIG 1 8.294 -0.244 2.703 0.00 0.00 +0.166 C ATOM 23 O LIG 1 9.692 0.002 2.983 0.00 0.00 -0.379 OA ATOM 24 C LIG 1 10.015 -0.093 1.576 0.00 0.00 +0.166 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -4.934 -2.044 -0.414 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.994 -0.728 -0.940 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.110 -0.383 -1.729 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -7.127 -1.305 -1.998 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -7.048 -2.601 -1.490 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.953 -2.969 -0.705 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 -4.253 -1.204 2.534 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -3.521 -2.106 1.687 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -3.817 -2.507 0.408 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -2.892 -3.367 0.021 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -1.970 -3.498 1.032 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -2.362 -2.737 2.026 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 -8.085 -3.550 -1.772 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.932 -4.312 -1.993 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -3.461 3.845 0.624 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.688 4.651 0.269 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.525 4.113 1.662 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 9