REMARK Name = BDB039519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.415 2.105 1.074 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -2.737 0.921 0.932 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -3.650 -0.110 1.142 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.182 -1.435 1.030 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.817 -1.586 0.711 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -0.992 -0.476 0.516 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -4.900 0.503 1.449 0.00 0.00 +0.029 A ATOM 8 N LIG 1 -1.429 0.799 0.636 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -4.718 1.870 1.430 0.00 0.00 +0.088 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.441 -0.610 0.166 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.380 0.330 0.649 0.00 0.00 +0.016 A ATOM 12 C LIG 1 2.717 0.199 0.311 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.886 1.036 0.706 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.979 0.434 -0.046 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.586 -0.733 -0.684 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.274 -1.541 -1.277 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.135 -0.849 -0.500 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.264 -1.793 -1.002 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.911 -1.662 -0.666 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.366 0.812 0.199 0.00 0.00 +0.163 C ATOM 21 C LIG 1 6.984 -0.039 1.319 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.339 -0.493 2.263 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.353 -0.176 1.286 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.761 -0.708 2.042 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.238 0.406 0.414 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.450 0.307 0.583 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.646 1.242 -0.697 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.244 0.774 -1.052 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 1 32 ATOM 29 C LIG 1 -2.642 5.378 -1.714 0.00 0.00 +0.105 C ATOM 30 N LIG 1 -2.421 5.027 -0.315 0.00 0.00 -0.301 NA ATOM 31 C LIG 1 -1.855 3.652 -0.206 0.00 0.00 +0.110 C ATOM 32 C LIG 1 -2.797 3.440 1.006 0.00 0.00 +0.117 C ATOM 33 C LIG 1 -3.671 4.508 0.301 0.00 0.00 +0.110 C ENDBRANCH 1 32 BRANCH 4 34 ATOM 34 C LIG 1 -4.043 -2.661 1.237 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 -4.103 -3.514 0.046 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.840 -2.901 -1.062 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -5.123 -4.079 -1.983 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.075 -5.310 -1.085 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -4.806 -4.770 0.311 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 5