REMARK Name = BDB035125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.411 -1.098 0.808 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -0.926 0.048 0.007 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.613 0.097 -0.096 0.00 0.00 +0.100 C ATOM 4 N LIG 1 1.251 0.358 1.212 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.516 -0.338 2.296 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -0.418 -1.480 1.832 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.704 0.074 1.226 0.00 0.00 +0.101 C ATOM 8 C LIG 1 3.461 0.528 -0.060 0.00 0.00 +0.165 C ATOM 9 N LIG 1 4.936 0.437 0.034 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 5.426 0.762 1.189 0.00 0.00 +0.120 C ATOM 11 C LIG 1 4.647 1.116 2.397 0.00 0.00 +0.030 C ATOM 12 C LIG 1 3.356 0.759 2.409 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 6.955 0.792 1.333 0.00 0.00 +0.262 C ATOM 14 N LIG 1 7.606 0.685 0.125 0.00 0.00 -0.306 N ATOM 15 H LIG 1 7.003 0.449 -0.660 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 7.488 0.883 2.426 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 9.042 0.467 0.042 0.00 0.00 +0.088 C ATOM 18 C LIG 1 9.418 -0.992 0.303 0.00 0.00 +0.103 C ATOM 19 N LIG 1 9.127 -1.668 -0.975 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 8.116 -1.801 -1.030 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 9.527 -0.710 -2.015 0.00 0.00 +0.083 C ATOM 22 C LIG 1 9.542 0.679 -1.379 0.00 0.00 +0.038 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.728 -0.825 1.401 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -8.221 0.218 -2.069 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -7.714 1.501 -1.397 0.00 0.00 +0.217 C ATOM 26 O LIG 1 -8.339 2.558 -1.452 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 -6.559 1.447 -0.665 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -6.263 2.364 -0.354 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -5.567 0.444 -0.936 0.00 0.00 +0.121 C ATOM 30 C LIG 1 -6.218 -0.944 -1.000 0.00 0.00 +0.130 C ATOM 31 N LIG 1 -5.222 -2.018 -1.180 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 -4.151 -1.854 -0.473 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.818 -0.674 0.381 0.00 0.00 -0.018 C ATOM 34 C LIG 1 -4.513 0.450 0.128 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -7.207 -0.939 -2.159 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 -9.516 -0.724 -0.035 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -9.575 -0.197 -1.461 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6