REMARK Name = BDB034508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.167 -1.129 -0.530 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.098 -1.670 -1.230 0.00 0.00 +0.248 C ATOM 3 O LIG 1 2.975 -2.806 -1.644 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.107 -0.601 -1.385 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.573 0.524 -0.703 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.821 1.685 -0.674 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.590 1.679 -1.338 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.143 0.550 -2.048 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.904 -0.620 -2.066 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.893 0.228 -0.073 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.197 -2.997 2.680 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.329 -2.768 1.842 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.004 -2.982 2.121 0.00 0.00 -0.255 N ATOM 14 H LIG 1 5.815 -3.243 3.080 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.947 -2.382 1.473 0.00 0.00 +0.240 C ATOM 16 O LIG 1 3.882 -2.202 2.060 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.227 -1.964 0.019 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.596 -1.293 -0.044 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.657 -2.262 0.456 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.197 2.799 -1.379 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.744 3.141 -0.087 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.295 2.948 -0.113 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -3.004 3.872 0.913 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.092 4.330 2.047 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -0.875 5.094 1.530 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.391 4.609 0.168 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.602 1.504 -0.079 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.640 0.882 1.251 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -3.902 0.099 0.798 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -4.018 1.182 -0.310 0.00 0.00 +0.090 C BRANCH 29 31 ATOM 31 C LIG 1 -3.756 -1.395 0.447 0.00 0.00 -0.005 C ATOM 32 C LIG 1 -2.618 -1.682 -0.546 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -2.749 -3.077 -1.143 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -4.043 -3.236 -1.941 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -5.144 -2.263 -1.522 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -5.110 -1.966 -0.026 0.00 0.00 +0.004 C ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5