REMARK Name = BDB024302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.974 0.311 -0.289 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.985 0.725 -1.754 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.210 -0.232 -2.757 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.188 0.135 -4.103 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.943 1.458 -4.463 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.721 2.419 -3.479 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.742 2.056 -2.132 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.494 0.088 -0.475 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.322 -0.028 -1.466 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.557 0.353 0.372 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.454 0.538 1.589 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.627 -0.194 0.159 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.959 -0.343 -1.059 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.616 -0.252 -1.256 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.853 0.012 -0.180 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.397 0.181 1.080 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.785 0.076 1.240 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 8.233 -0.972 -0.079 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.891 -0.707 -0.784 0.00 0.00 +0.136 C ATOM 20 N LIG 1 5.987 -0.301 0.294 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.723 -0.040 1.527 0.00 0.00 +0.108 C ATOM 22 C LIG 1 8.182 0.009 1.087 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 10.577 -1.119 -0.414 0.00 0.00 +0.194 C ATOM 24 O LIG 1 9.325 -0.728 -0.960 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.884 1.161 0.515 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.568 1.124 1.488 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.295 0.778 0.407 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.841 0.003 1.633 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.145 -1.344 1.855 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -6.351 -0.180 1.524 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.925 -0.978 0.522 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -8.312 -1.129 0.438 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -9.145 -0.483 1.355 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -8.585 0.315 2.355 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.197 0.465 2.438 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -10.568 -0.638 1.269 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -11.719 -0.766 1.199 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10