REMARK Name = BDB035761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.090 -1.250 1.012 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.659 -0.674 -0.130 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.157 -0.062 -1.053 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.102 -0.940 -0.071 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.088 -0.564 -0.964 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.408 -0.950 -0.690 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.690 -1.685 0.487 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.673 -2.057 1.389 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.373 -1.668 1.081 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.102 -1.906 1.830 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.639 -0.583 0.910 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.259 -0.605 0.584 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.286 -1.243 1.372 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.719 -1.882 2.540 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.066 -1.887 2.898 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.007 -1.250 2.092 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.330 -0.143 -1.451 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.809 -0.408 -1.498 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.700 0.163 -0.040 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.219 -0.192 0.090 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.474 1.741 -0.012 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.372 2.560 1.080 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.436 2.205 2.470 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.215 3.821 0.591 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.239 3.790 -0.720 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.403 2.481 -1.101 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.237 -1.158 -3.454 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.178 -1.156 -2.034 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.971 -2.838 2.639 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.609 -2.164 3.766 0.00 0.00 -0.166 F ATOM 31 F LIG 1 5.285 -3.152 2.793 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.293 -4.018 2.683 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.524 -0.541 -1.625 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.958 0.820 -1.329 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 6.283 0.867 -0.367 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.035 1.234 -2.220 0.00 0.00 +0.084 C BRANCH 36 37 ATOM 37 C LIG 1 7.481 2.650 -1.992 0.00 0.00 +0.003 C ATOM 38 C LIG 1 7.657 3.252 -0.618 0.00 0.00 +0.005 C ATOM 39 C LIG 1 6.545 3.734 -1.513 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9