REMARK Name = BDB039425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.719 0.314 0.321 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.935 1.345 0.816 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.291 2.397 1.311 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.537 0.947 0.618 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.524 -0.264 -0.063 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.321 -0.871 -0.386 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.104 -0.255 -0.014 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.164 0.990 0.669 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.381 1.600 0.992 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.920 -0.697 -0.360 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.188 -0.896 -0.351 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -1.193 -1.633 -1.495 0.00 0.00 -0.232 NA ATOM 13 C LIG 1 -2.359 -2.195 -1.813 0.00 0.00 +0.130 A ATOM 14 N LIG 1 -2.568 -2.963 -2.939 0.00 0.00 -0.270 N ATOM 15 H LIG 1 -1.853 -3.157 -3.620 0.00 0.00 +0.156 HD ATOM 16 C LIG 1 -3.875 -3.410 -3.012 0.00 0.00 +0.223 C ATOM 17 C LIG 1 -4.611 -2.873 -1.783 0.00 0.00 +0.135 C ATOM 18 O LIG 1 -4.350 -4.105 -3.894 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.533 -2.105 -1.083 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -3.545 -1.376 0.090 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -2.333 -0.763 0.455 0.00 0.00 +0.033 A BRANCH 20 22 ATOM 22 C LIG 1 -4.774 -1.227 0.950 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -5.182 0.171 1.100 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -5.714 0.756 -0.134 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -6.424 2.011 0.355 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -6.763 1.735 1.815 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -6.261 0.324 2.078 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 11 BRANCH 1 34 ATOM 28 O LIG 1 9.856 2.201 -0.321 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 8.740 1.721 -0.140 0.00 0.00 +0.219 C ATOM 30 N LIG 1 7.746 1.872 -1.074 0.00 0.00 -0.255 N ATOM 31 H LIG 1 7.983 2.422 -1.889 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 6.505 1.279 -1.092 0.00 0.00 +0.240 C ATOM 33 O LIG 1 5.783 1.380 -2.083 0.00 0.00 -0.273 OA ATOM 34 C LIG 1 6.162 0.400 0.121 0.00 0.00 +0.163 C ATOM 35 C LIG 1 6.926 0.870 1.359 0.00 0.00 +0.041 C ATOM 36 C LIG 1 8.418 0.864 1.061 0.00 0.00 +0.098 C ENDBRANCH 1 34 TORSDOF 4