REMARK Name = BDB042011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.309 -1.200 2.647 0.00 0.00 +0.038 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.517 0.569 0.049 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.236 -0.758 -0.228 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.902 -1.554 -0.858 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.963 -1.069 0.429 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.558 0.054 1.144 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.381 0.033 1.871 0.00 0.00 +0.009 A ATOM 8 C LIG 1 1.603 -1.139 1.863 0.00 0.00 -0.047 A ATOM 9 C LIG 1 2.045 -2.271 1.137 0.00 0.00 +0.004 A ATOM 10 C LIG 1 3.236 -2.243 0.409 0.00 0.00 +0.013 A ATOM 11 C LIG 1 4.567 1.141 0.993 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.931 -0.818 -2.013 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.973 -0.214 -1.535 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.917 0.046 -0.191 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.667 -0.350 0.357 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.922 0.667 0.519 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.955 0.699 1.750 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.760 1.259 -0.279 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.059 1.411 -1.768 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.814 0.247 -2.382 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.987 -0.887 1.875 0.00 0.00 -0.004 C ATOM 22 C LIG 1 -1.261 -1.825 0.698 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -2.660 -1.573 0.108 0.00 0.00 +0.085 C ATOM 24 N LIG 1 -3.142 -0.179 0.251 0.00 0.00 -0.292 NA ATOM 25 C LIG 1 -2.003 0.747 0.179 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -1.093 0.575 1.405 0.00 0.00 +0.019 C BRANCH 24 27 ATOM 27 C LIG 1 -4.197 0.144 -0.758 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 C LIG 1 -4.783 1.556 -0.602 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -5.104 2.091 0.658 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.654 3.369 0.773 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.897 4.128 -0.369 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.594 3.611 -1.627 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.043 2.333 -1.744 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.343 -0.878 -0.799 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -5.739 -1.436 -2.027 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.788 -2.357 -2.086 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.457 -2.730 -0.922 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.080 -2.182 0.302 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.033 -1.261 0.363 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6