REMARK Name = BDB032014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.774 -0.880 0.793 0.00 0.00 -0.273 N ATOM 2 C LIG 1 0.388 -0.955 0.584 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -0.017 -2.217 0.952 0.00 0.00 +0.107 A ATOM 4 C LIG 1 -1.337 -2.496 0.822 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -2.195 -1.564 0.352 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -1.708 -0.345 0.008 0.00 0.00 +0.221 A ATOM 7 N LIG 1 1.089 -2.951 1.376 0.00 0.00 -0.292 N ATOM 8 C LIG 1 1.071 -4.326 1.782 0.00 0.00 +0.154 C ATOM 9 N LIG 1 -0.410 0.001 0.107 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 2.231 -2.135 1.251 0.00 0.00 +0.331 A ATOM 11 O LIG 1 3.384 -2.455 1.486 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 7.728 1.352 0.530 0.00 0.00 +0.109 C ATOM 13 C LIG 1 6.638 1.506 -0.500 0.00 0.00 +0.212 C ATOM 14 N LIG 1 5.388 0.991 -0.184 0.00 0.00 -0.302 N ATOM 15 C LIG 1 5.041 0.373 1.097 0.00 0.00 +0.110 C ATOM 16 C LIG 1 3.596 0.669 1.488 0.00 0.00 +0.044 C ATOM 17 C LIG 1 2.584 0.261 0.401 0.00 0.00 +0.097 C ATOM 18 C LIG 1 3.248 0.019 -0.961 0.00 0.00 +0.044 C ATOM 19 C LIG 1 4.352 1.035 -1.213 0.00 0.00 +0.110 C ATOM 20 O LIG 1 6.868 2.074 -1.568 0.00 0.00 -0.276 OA ENDBRANCH 1 17 BRANCH 6 21 ATOM 21 N LIG 1 -2.534 0.658 -0.495 0.00 0.00 -0.283 N ATOM 22 H LIG 1 -1.964 1.471 -0.678 0.00 0.00 +0.155 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.911 0.779 -0.722 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -4.428 1.946 -1.326 0.00 0.00 -0.027 A ATOM 25 C LIG 1 -3.539 3.094 -1.728 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -5.815 2.063 -1.567 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -6.715 1.061 -1.240 0.00 0.00 +0.075 A ATOM 28 C LIG 1 -6.203 -0.094 -0.652 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -7.143 -1.069 -0.346 0.00 0.00 +0.122 A ATOM 30 N LIG 1 -8.463 -0.945 -0.582 0.00 0.00 -0.243 NA ATOM 31 C LIG 1 -8.834 0.210 -1.149 0.00 0.00 +0.221 A ATOM 32 N LIG 1 -8.023 1.223 -1.492 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -4.822 -0.234 -0.400 0.00 0.00 +0.035 A ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 3