REMARK Name = BDB038611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.649 -0.458 -0.691 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.989 -1.705 -1.066 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.217 -1.974 -1.570 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.162 -0.957 -1.683 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.846 0.349 -1.297 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.550 0.590 -0.826 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.871 -0.263 1.739 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.954 -1.101 1.086 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.737 -0.562 0.710 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.607 -1.213 0.031 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.375 -0.236 -0.129 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.035 1.043 0.426 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.640 -2.389 -0.281 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.403 0.767 0.948 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.295 1.612 1.583 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.534 1.091 1.975 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.221 -0.800 2.155 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.111 -0.895 0.998 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 6.176 0.025 0.565 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.445 -1.348 1.401 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 C LIG 1 8.391 -1.584 0.204 0.00 0.00 +0.128 C BRANCH 21 23 ATOM 22 C LIG 1 9.196 0.848 0.018 0.00 0.00 +0.006 C ATOM 23 C LIG 1 8.616 -0.364 -0.701 0.00 0.00 +0.029 C ENDBRANCH 21 23 BRANCH 21 24 ATOM 24 O LIG 1 9.653 -2.028 0.713 0.00 0.00 -0.391 OA ATOM 25 H LIG 1 10.197 -2.283 -0.053 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.853 1.431 -1.361 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.166 2.258 -0.252 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.101 3.300 -0.388 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -6.753 3.519 -1.603 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.466 2.701 -2.696 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.525 1.674 -2.576 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.518 2.099 1.050 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.684 1.055 1.926 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.565 -0.076 1.810 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.837 1.290 2.966 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -3.196 2.417 2.763 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -3.636 2.934 1.568 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -7.711 4.578 -1.728 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.495 5.428 -1.830 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.481 -3.413 -1.967 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.357 -3.772 -3.143 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.823 -4.070 -1.746 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 11