REMARK Name = BDB032119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.627 0.476 -0.458 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.229 -0.759 0.063 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.098 -0.978 0.454 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.055 0.034 0.324 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.658 1.264 -0.195 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.327 1.484 -0.582 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.610 1.738 -1.328 0.00 0.00 +0.220 C ATOM 8 N LIG 1 -1.982 0.613 -0.826 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -2.553 -0.210 -0.697 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.083 2.825 -1.546 0.00 0.00 -0.275 OA BRANCH 7 13 ATOM 11 C LIG 1 -6.416 1.076 -0.730 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -4.904 1.083 -0.434 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -4.093 1.539 -1.650 0.00 0.00 +0.077 C ATOM 14 C LIG 1 -4.289 0.592 -2.845 0.00 0.00 +0.013 C ATOM 15 C LIG 1 -5.666 -0.077 -2.862 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -6.729 0.804 -2.212 0.00 0.00 +0.022 C BRANCH 11 18 ATOM 17 C LIG 1 -7.310 0.337 1.455 0.00 0.00 +0.237 C ATOM 18 N LIG 1 -7.092 0.101 0.119 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -7.312 -0.806 -0.269 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -6.992 1.365 2.036 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -8.206 -0.758 3.458 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -7.970 -0.804 2.140 0.00 0.00 +0.059 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 3.367 -0.261 0.747 0.00 0.00 -0.280 N ATOM 24 H LIG 1 3.514 -1.193 1.113 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 4.489 0.548 0.626 0.00 0.00 +0.267 C ATOM 26 O LIG 1 4.558 1.637 0.072 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 5.723 -0.030 1.242 0.00 0.00 +0.126 A ATOM 28 N LIG 1 6.821 -0.075 0.447 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 7.947 -0.592 0.986 0.00 0.00 +0.089 A ATOM 30 C LIG 1 8.013 -1.076 2.288 0.00 0.00 +0.030 A ATOM 31 C LIG 1 6.870 -1.019 3.083 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.699 -0.485 2.556 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 9.084 -0.599 0.083 0.00 0.00 +0.084 A ATOM 34 N LIG 1 9.011 -0.036 -1.168 0.00 0.00 -0.275 N ATOM 35 H LIG 1 8.202 0.426 -1.574 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 10.148 -0.134 -1.881 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 10.979 -0.769 -1.055 0.00 0.00 +0.135 A ATOM 38 C LIG 1 10.375 -1.082 0.177 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7