REMARK Name = BDB038759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.685 -1.496 0.246 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.048 -2.655 0.841 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.357 -3.002 0.922 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.335 -2.167 0.387 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.985 -0.957 -0.220 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.627 -0.633 -0.294 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.116 0.138 -0.119 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.810 0.569 -0.412 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.759 -0.269 -0.084 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.317 -0.071 -0.276 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.308 -1.211 0.215 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.642 -2.175 0.752 0.00 0.00 +0.154 C ATOM 13 O LIG 1 -0.151 0.939 -0.768 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.949 -1.504 0.522 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.222 -1.931 0.817 0.00 0.00 +0.129 A ATOM 16 F LIG 1 3.420 -3.118 1.403 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.310 -1.117 0.503 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.307 1.021 -0.451 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 6.473 2.330 -2.194 0.00 0.00 +0.083 C ATOM 20 N LIG 1 5.362 1.393 -1.875 0.00 0.00 -0.293 NA ATOM 21 C LIG 1 5.639 0.237 -2.746 0.00 0.00 +0.085 C ATOM 22 C LIG 1 7.152 0.080 -2.782 0.00 0.00 +0.017 C ATOM 23 C LIG 1 7.705 1.440 -2.379 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 6.708 3.541 -1.267 0.00 0.00 +0.178 C BRANCH 24 26 ATOM 25 C LIG 1 7.520 4.276 0.821 0.00 0.00 +0.194 C ATOM 26 O LIG 1 7.324 3.158 -0.035 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -5.014 -0.044 -0.758 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.061 0.486 0.034 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -7.043 1.304 -0.553 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.985 1.630 -1.911 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -5.943 1.132 -2.693 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.973 0.303 -2.123 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -6.187 0.202 1.463 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -5.335 0.615 2.457 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.171 1.453 2.350 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.824 0.097 3.618 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -6.922 -0.575 3.371 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -7.160 -0.496 2.020 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -7.987 2.473 -2.495 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.790 3.162 -2.970 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.674 -4.307 1.627 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.850 -5.171 1.240 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.866 -4.431 2.548 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 9