REMARK Name = BDB064199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.185 0.202 -0.298 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.251 -0.764 -0.252 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -1.027 -0.385 -0.154 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.414 0.956 -0.113 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.786 1.266 0.016 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.746 0.252 0.079 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.388 -1.098 0.024 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.369 1.894 -0.194 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -2.012 -1.369 -0.090 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.915 1.512 -0.288 0.00 0.00 -0.212 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -4.333 -2.107 0.088 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -3.969 -3.494 0.431 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -5.176 -4.239 1.047 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -6.353 -4.328 0.155 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 -7.574 -4.508 0.934 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -6.439 -3.156 -0.741 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -5.750 -1.867 -0.233 0.00 0.00 +0.120 C ENDBRANCH 7 11 BRANCH 1 21 ATOM 18 C LIG 1 5.343 -0.982 -0.545 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.992 0.360 -0.421 0.00 0.00 +0.024 A ATOM 20 C LIG 1 3.643 0.738 -0.341 0.00 0.00 +0.013 A ATOM 21 C LIG 1 2.602 -0.207 -0.382 0.00 0.00 +0.019 A ATOM 22 C LIG 1 2.977 -1.556 -0.505 0.00 0.00 +0.013 A ATOM 23 C LIG 1 4.323 -1.938 -0.586 0.00 0.00 +0.024 A BRANCH 18 25 ATOM 24 C LIG 1 7.827 -0.697 -0.617 0.00 0.00 +0.241 C ATOM 25 N LIG 1 6.671 -1.450 -0.632 0.00 0.00 -0.282 N ATOM 26 H LIG 1 6.770 -2.452 -0.714 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 7.921 0.520 -0.529 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 10.267 -1.006 -0.733 0.00 0.00 +0.013 C ATOM 29 C LIG 1 9.044 -1.554 -0.727 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 8 30 ATOM 30 N LIG 1 -0.681 3.279 -0.203 0.00 0.00 -0.282 N ATOM 31 H LIG 1 -1.378 3.458 -0.914 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 0.145 4.301 0.120 0.00 0.00 +0.146 A ATOM 33 N LIG 1 1.163 4.280 0.984 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 1.658 5.522 0.958 0.00 0.00 -0.280 N ATOM 35 H LIG 1 2.470 5.722 1.533 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 0.966 6.373 0.144 0.00 0.00 +0.035 A ATOM 37 C LIG 1 1.332 7.795 -0.013 0.00 0.00 +0.065 C ATOM 38 C LIG 1 -0.033 5.604 -0.410 0.00 0.00 +0.068 A ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 6