REMARK Name = BDB010674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.527 -0.661 0.064 0.00 0.00 -0.309 N ATOM 2 C LIG 1 -0.479 -1.548 0.387 0.00 0.00 +0.111 A ATOM 3 C LIG 1 0.174 -2.775 0.431 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.424 -3.947 0.695 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -1.731 -3.820 0.931 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -2.451 -2.676 0.934 0.00 0.00 -0.226 NA ATOM 7 N LIG 1 1.511 -2.651 0.201 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.850 -1.488 0.649 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.713 -1.369 0.030 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.467 -5.065 1.234 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -3.798 -4.917 1.470 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -4.230 -6.181 1.718 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -5.374 -6.506 1.981 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -3.135 -6.991 1.612 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -3.128 -7.993 1.744 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.016 -6.283 1.307 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.722 -0.253 0.736 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -4.101 -0.448 0.067 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.202 -0.764 1.076 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -5.354 0.343 2.121 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -4.051 1.083 2.426 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -2.833 0.196 2.206 0.00 0.00 +0.010 C ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 2.913 -0.754 -0.160 0.00 0.00 -0.289 N ATOM 24 C LIG 1 3.718 -0.610 1.096 0.00 0.00 +0.132 C ATOM 25 C LIG 1 5.239 -0.837 0.856 0.00 0.00 +0.187 C ATOM 26 O LIG 1 5.757 -0.229 -0.335 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 4.958 -0.490 -1.498 0.00 0.00 +0.179 C ATOM 28 C LIG 1 3.713 -1.352 -1.250 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 3.406 0.739 1.737 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.919 1.942 1.228 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.585 3.164 1.815 0.00 0.00 +0.000 A ATOM 32 C LIG 1 2.729 3.202 2.914 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.204 2.019 3.426 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.539 0.796 2.843 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 0.395 0.761 -0.207 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 0.055 3.817 -4.797 0.00 0.00 +0.007 C ATOM 37 C LIG 1 0.824 2.997 -3.760 0.00 0.00 -0.014 C ATOM 38 C LIG 1 0.585 1.494 -3.990 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.832 0.696 -2.716 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.171 1.076 -1.607 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.602 2.555 -1.702 0.00 0.00 +0.005 C ATOM 42 C LIG 1 0.477 3.435 -2.325 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6