REMARK Name = BDB038688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.880 -0.433 -0.607 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.105 -1.716 -0.944 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.339 -2.139 -1.306 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.409 -1.246 -1.308 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.213 0.093 -0.957 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.912 0.495 -0.636 0.00 0.00 +0.052 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 3.330 1.775 1.519 0.00 0.00 +0.125 A ATOM 8 C LIG 1 3.816 0.478 1.195 0.00 0.00 +0.009 A ATOM 9 C LIG 1 2.934 -0.478 0.649 0.00 0.00 +0.022 A ATOM 10 C LIG 1 1.626 -0.104 0.410 0.00 0.00 +0.042 A ATOM 11 C LIG 1 0.520 -0.897 -0.148 0.00 0.00 +0.253 C ATOM 12 N LIG 1 -0.589 -0.051 -0.188 0.00 0.00 -0.248 N ATOM 13 C LIG 1 -0.284 1.270 0.333 0.00 0.00 +0.151 C ATOM 14 O LIG 1 0.665 -2.060 -0.476 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.157 1.168 0.701 0.00 0.00 -0.014 A ATOM 16 C LIG 1 1.993 2.120 1.260 0.00 0.00 +0.052 A BRANCH 7 18 ATOM 17 C LIG 1 3.792 3.921 2.470 0.00 0.00 +0.277 C ATOM 18 O LIG 1 4.243 2.629 2.086 0.00 0.00 -0.495 OA ENDBRANCH 7 18 BRANCH 8 19 ATOM 19 C LIG 1 5.251 0.078 1.491 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 N LIG 1 5.843 -0.693 0.390 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 5.817 -0.117 -0.450 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 7.228 -1.058 0.691 0.00 0.00 +0.084 C BRANCH 22 23 ATOM 23 C LIG 1 7.795 -1.917 -0.442 0.00 0.00 +0.003 C ATOM 24 C LIG 1 9.302 -2.266 -0.313 0.00 0.00 +0.005 C ATOM 25 C LIG 1 9.604 -1.076 -1.243 0.00 0.00 +0.001 C ATOM 26 C LIG 1 8.161 -1.196 -1.768 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 -5.345 1.045 -0.902 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.624 1.841 0.238 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.689 2.761 0.214 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -7.499 2.886 -0.917 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.244 2.095 -2.037 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.178 1.190 -2.029 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -4.816 1.777 1.455 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -4.753 0.731 2.342 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -5.499 -0.499 2.327 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -3.825 1.078 3.276 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -3.349 2.269 3.002 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -3.983 2.717 1.867 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -8.586 3.820 -0.926 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.474 4.567 -0.934 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.469 -3.604 -1.675 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.686 -4.417 -1.305 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.423 -4.080 -2.745 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 10