REMARK Name = BDB032450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.049 0.541 0.461 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -0.421 -0.227 1.505 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.386 -1.264 1.812 0.00 0.00 +0.115 A ATOM 4 C LIG 1 1.545 -1.571 1.119 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.911 -0.769 0.034 0.00 0.00 -0.024 A ATOM 6 C LIG 1 1.091 0.314 -0.295 0.00 0.00 +0.072 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.821 1.619 0.079 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.979 1.855 0.888 0.00 0.00 +0.235 C BRANCH 8 12 ATOM 9 N LIG 1 -5.822 0.121 -0.621 0.00 0.00 -0.299 NA ATOM 10 C LIG 1 -5.479 0.169 0.815 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -4.464 1.280 1.172 0.00 0.00 +0.010 C ATOM 12 C LIG 1 -3.169 1.015 0.401 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -3.659 1.377 -1.007 0.00 0.00 +0.010 C ATOM 14 C LIG 1 -4.408 2.707 -0.803 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -4.937 2.644 0.637 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -4.630 0.271 -1.482 0.00 0.00 +0.088 C BRANCH 9 18 ATOM 17 C LIG 1 -7.059 -1.061 -2.455 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -6.639 -1.066 -0.976 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -7.919 -1.164 -0.129 0.00 0.00 +0.024 C ENDBRANCH 9 18 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 5 20 ATOM 20 C LIG 1 3.171 -1.056 -0.743 0.00 0.00 +0.137 C BRANCH 20 21 ATOM 21 N LIG 1 4.321 -0.783 0.107 0.00 0.00 -0.339 N ATOM 22 H LIG 1 4.211 0.099 0.601 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 5.632 -0.912 -0.395 0.00 0.00 +0.035 A ATOM 24 C LIG 1 6.740 -0.481 0.404 0.00 0.00 +0.008 A ATOM 25 C LIG 1 8.062 -0.615 -0.090 0.00 0.00 +0.023 A ATOM 26 C LIG 1 9.126 -0.143 0.711 0.00 0.00 +0.124 A ATOM 27 N LIG 1 8.966 0.393 1.933 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 7.709 0.477 2.401 0.00 0.00 +0.113 A ATOM 29 C LIG 1 8.265 -1.227 -1.343 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.195 -1.701 -2.092 0.00 0.00 +0.003 A ATOM 31 C LIG 1 6.592 0.070 1.692 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.895 -1.554 -1.615 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 10.458 -0.205 0.283 0.00 0.00 -0.343 N ATOM 34 H LIG 1 10.571 0.291 -0.593 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 11.006 0.226 1.025 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 8