REMARK Name = BDB031715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.438 1.403 -2.056 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.350 1.873 -0.732 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.140 1.722 -0.045 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.010 1.148 -0.609 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.987 1.195 0.418 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.491 1.729 1.538 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.083 0.698 -1.940 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.769 2.054 1.227 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.336 2.497 1.940 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.292 0.836 -2.640 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.805 -1.725 0.483 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.348 -1.029 -0.646 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.162 -0.072 -1.234 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.002 0.835 -2.421 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.727 1.544 -2.833 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.320 1.570 -2.500 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.096 1.128 -1.444 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.032 1.465 -1.278 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.619 2.397 -3.346 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.272 0.394 -3.657 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.434 0.158 -0.689 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.918 -0.508 0.416 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.083 -1.461 1.009 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.288 -3.337 2.158 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.913 -2.638 0.978 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.231 0.699 0.227 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.472 0.337 -0.688 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.420 0.951 0.956 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.510 0.105 0.734 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -5.690 0.366 1.429 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -5.749 1.352 2.345 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.642 2.085 2.515 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -3.487 1.943 1.858 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -6.858 -0.404 1.216 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -7.366 -0.805 -0.068 0.00 0.00 +0.108 C ATOM 36 C LIG 1 -8.727 -0.963 0.617 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -8.165 -0.004 1.668 0.00 0.00 +0.108 C ENDBRANCH 30 34 BRANCH 29 38 ATOM 38 O LIG 1 -4.395 -0.913 -0.185 0.00 0.00 -0.489 OA ATOM 39 C LIG 1 -4.058 -2.126 0.496 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6