REMARK Name = BDB039451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.709 -0.997 -0.892 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.841 -2.060 -1.122 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.115 -3.213 -1.391 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.477 -1.537 -0.997 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.558 -0.162 -0.811 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.406 0.594 -0.671 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.153 -0.053 -0.706 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.107 -1.457 -0.912 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.275 -2.212 -1.057 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.984 0.272 -0.839 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.089 0.734 -0.570 0.00 0.00 +0.092 A ATOM 12 C LIG 1 -1.991 0.588 0.505 0.00 0.00 +0.072 A ATOM 13 CL LIG 1 -1.623 -0.510 1.806 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 -3.174 1.365 0.553 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -3.359 2.273 -0.517 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -2.386 2.332 -1.505 0.00 0.00 +0.139 A ATOM 17 N LIG 1 -2.766 3.265 -2.430 0.00 0.00 -0.346 N ATOM 18 H LIG 1 -2.224 3.490 -3.252 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 -3.966 3.817 -2.066 0.00 0.00 +0.085 A ATOM 20 C LIG 1 -4.358 3.222 -0.886 0.00 0.00 +0.029 A ATOM 21 N LIG 1 -1.255 1.618 -1.590 0.00 0.00 -0.228 NA BRANCH 14 22 ATOM 22 C LIG 1 -4.189 1.223 1.665 0.00 0.00 +0.121 C BRANCH 22 23 ATOM 23 N LIG 1 -4.987 0.001 1.548 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -5.925 0.011 0.425 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -6.871 -1.135 0.753 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -6.787 -1.302 2.267 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -5.819 -0.226 2.731 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 14 22 ENDBRANCH 7 11 BRANCH 1 34 ATOM 28 O LIG 1 7.907 -0.174 2.465 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 7.489 -0.507 1.360 0.00 0.00 +0.219 C ATOM 30 N LIG 1 7.521 0.370 0.305 0.00 0.00 -0.255 N ATOM 31 H LIG 1 7.913 1.280 0.507 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 6.870 0.252 -0.900 0.00 0.00 +0.240 C ATOM 33 O LIG 1 6.770 1.228 -1.644 0.00 0.00 -0.273 OA ATOM 34 C LIG 1 6.148 -1.078 -1.171 0.00 0.00 +0.163 C ATOM 35 C LIG 1 6.860 -2.183 -0.381 0.00 0.00 +0.041 C ATOM 36 C LIG 1 6.861 -1.854 1.104 0.00 0.00 +0.098 C ENDBRANCH 1 34 TORSDOF 4