REMARK Name = BDB038582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.366 0.708 -1.115 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.066 0.210 -0.956 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.141 0.899 -0.180 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.465 2.075 0.388 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.700 2.603 0.227 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.667 1.935 -0.519 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.855 0.366 0.043 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.134 0.973 0.819 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.161 2.022 1.435 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.291 0.068 0.801 0.00 0.00 +0.045 A ATOM 11 C LIG 1 0.963 -1.042 0.036 0.00 0.00 +0.018 A ATOM 12 C LIG 1 1.888 -2.042 -0.145 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.145 -1.927 0.449 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.476 -0.798 1.234 0.00 0.00 -0.030 A ATOM 15 F LIG 1 1.591 -3.114 -0.888 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.527 0.221 1.408 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.425 -0.922 -0.479 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 4.848 -0.686 1.857 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 5.857 -0.457 0.825 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 5.617 0.400 0.327 0.00 0.00 +0.122 HD BRANCH 19 21 ATOM 21 C LIG 1 7.193 -0.326 1.412 0.00 0.00 +0.087 C BRANCH 21 22 ATOM 22 C LIG 1 8.310 -0.222 0.356 0.00 0.00 -0.020 C ATOM 23 C LIG 1 8.293 -1.284 -0.789 0.00 0.00 +0.008 C ATOM 24 C LIG 1 8.687 -0.167 -1.774 0.00 0.00 +0.001 C ATOM 25 C LIG 1 8.153 0.862 -0.758 0.00 0.00 +0.008 C ATOM 26 C LIG 1 9.676 -0.138 1.058 0.00 0.00 +0.012 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.723 -1.395 -1.566 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.392 -0.049 -1.864 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -6.065 0.577 -2.932 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -7.024 -0.104 -3.688 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.329 -1.435 -3.398 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.676 -2.077 -2.343 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -6.101 -0.983 1.523 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.235 -1.922 0.863 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -5.078 -2.137 -0.484 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -4.210 -3.119 -0.645 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -3.772 -3.520 0.594 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -4.398 -2.795 1.489 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -8.306 -2.136 -4.177 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.107 -2.696 -4.803 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.009 3.931 0.875 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.513 4.220 2.274 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.977 4.002 2.035 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9