REMARK Name = BDB016681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.772 -0.060 -0.358 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.810 -0.914 0.761 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.613 -1.484 1.213 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.620 -1.231 0.628 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.561 -1.990 1.396 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.940 -2.685 2.365 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.665 -0.377 -0.489 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.353 -2.358 2.229 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.020 -2.776 2.866 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.528 0.197 -0.957 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -7.612 1.408 -0.489 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.252 1.400 -0.825 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.622 0.179 -1.032 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.210 -0.195 -1.392 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.035 0.602 -0.862 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.246 -1.704 -1.495 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.532 -2.100 -1.168 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.820 -3.066 -1.183 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.323 -2.426 -1.832 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -3.369 0.610 -2.340 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.359 -1.008 -0.904 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.696 -1.035 -0.578 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.321 0.196 -0.368 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -7.716 3.783 -0.365 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -8.369 2.525 -0.254 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 3.012 -2.075 1.226 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.777 -0.924 0.969 0.00 0.00 +0.033 A ATOM 28 C LIG 1 5.172 -0.969 0.788 0.00 0.00 +0.030 A ATOM 29 C LIG 1 5.772 -2.235 0.869 0.00 0.00 +0.023 A ATOM 30 C LIG 1 5.032 -3.391 1.141 0.00 0.00 +0.002 A ATOM 31 C LIG 1 3.656 -3.310 1.324 0.00 0.00 +0.010 A BRANCH 28 32 ATOM 32 N LIG 1 5.901 0.182 0.522 0.00 0.00 -0.327 N ATOM 33 C LIG 1 5.450 1.482 1.054 0.00 0.00 +0.120 C ATOM 34 C LIG 1 6.642 2.416 1.365 0.00 0.00 +0.100 C ATOM 35 N LIG 1 7.569 2.658 0.245 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 7.214 3.424 -0.327 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 7.690 1.464 -0.615 0.00 0.00 +0.100 C ATOM 38 C LIG 1 7.291 0.123 0.042 0.00 0.00 +0.120 C ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 4