REMARK Name = BDB045499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.435 -0.420 3.081 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.821 -0.578 2.410 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.766 -0.680 3.425 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.133 -0.859 3.188 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -3.551 -0.931 1.853 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -2.632 -0.822 0.801 0.00 0.00 +0.037 A ATOM 7 N LIG 1 -1.053 -0.586 4.586 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.409 -0.623 5.534 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.262 -0.665 1.074 0.00 0.00 +0.025 A ATOM 10 N LIG 1 0.268 -0.443 4.416 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 4.357 -0.065 1.378 0.00 0.00 +0.121 A ATOM 12 C LIG 1 3.264 0.565 0.777 0.00 0.00 +0.046 A ATOM 13 C LIG 1 1.983 0.469 1.333 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.771 -0.276 2.497 0.00 0.00 +0.003 A ATOM 15 C LIG 1 2.874 -0.891 3.106 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.157 -0.787 2.552 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 5.540 0.109 0.719 0.00 0.00 -0.489 OA BRANCH 17 22 ATOM 18 C LIG 1 10.074 1.291 1.067 0.00 0.00 +0.104 C ATOM 19 N LIG 1 8.749 1.679 0.591 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 7.789 1.864 1.686 0.00 0.00 +0.087 C ATOM 21 C LIG 1 7.314 0.556 2.329 0.00 0.00 +0.060 C ATOM 22 C LIG 1 6.749 -0.411 1.285 0.00 0.00 +0.176 C ATOM 23 C LIG 1 7.755 -0.589 0.141 0.00 0.00 +0.060 C ATOM 24 C LIG 1 8.219 0.758 -0.422 0.00 0.00 +0.087 C ENDBRANCH 17 22 ENDBRANCH 11 17 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.044 -0.878 -0.632 0.00 0.00 +0.245 C ATOM 26 N LIG 1 -4.356 -0.564 -0.917 0.00 0.00 -0.303 N ATOM 27 H LIG 1 -4.888 -0.068 -0.213 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -2.217 -1.146 -1.497 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.785 -0.313 -2.293 0.00 0.00 +0.125 C BRANCH 29 30 ATOM 30 C LIG 1 -4.761 1.193 -2.561 0.00 0.00 +0.062 A ATOM 31 N LIG 1 -5.905 1.904 -2.386 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -5.850 3.240 -2.587 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -4.693 3.920 -2.926 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -3.518 3.190 -3.064 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -3.550 1.809 -2.888 0.00 0.00 +0.025 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -6.137 -0.989 -2.619 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -7.297 -0.761 -1.638 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -8.238 -1.954 -1.831 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -7.492 -2.957 -2.705 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -6.037 -2.518 -2.654 0.00 0.00 +0.006 C ENDBRANCH 29 36 ENDBRANCH 26 29 ENDBRANCH 6 25 TORSDOF 7