REMARK Name = BDB031815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.333 -1.846 1.653 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.504 -1.187 2.580 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.706 -0.644 2.132 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.139 -0.731 0.817 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.400 -0.053 0.791 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -2.716 0.413 2.003 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.326 -1.406 -0.112 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.690 0.044 2.782 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.719 0.297 3.763 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.890 -1.955 0.323 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.994 1.214 -0.675 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.561 0.376 0.363 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.175 -0.854 0.549 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.978 -1.970 1.536 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.649 -2.458 2.075 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.046 -2.975 1.168 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.726 -2.466 0.076 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.495 -2.949 -0.360 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.248 -4.032 1.742 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.612 -1.701 2.967 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.231 -1.216 -0.300 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.685 -0.418 -1.328 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.050 0.815 -1.514 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.676 3.281 -1.815 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.310 2.397 -0.763 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.121 0.062 -0.350 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -2.740 -0.348 -1.199 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.366 0.674 -0.630 0.00 0.00 +0.098 A ATOM 29 C LIG 1 -4.881 0.639 -1.930 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -6.061 1.199 -2.282 0.00 0.00 -0.109 NA ATOM 31 N LIG 1 -6.804 1.833 -1.338 0.00 0.00 -0.151 NA ATOM 32 C LIG 1 -6.355 1.896 -0.064 0.00 0.00 +0.063 A ATOM 33 C LIG 1 -7.212 2.605 0.937 0.00 0.00 +0.067 C ATOM 34 C LIG 1 -5.145 1.328 0.318 0.00 0.00 +0.053 A BRANCH 29 35 ATOM 35 O LIG 1 -4.109 -0.013 -2.885 0.00 0.00 -0.477 OA ATOM 36 C LIG 1 -4.710 -0.007 -4.176 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5