REMARK Name = BDB024101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 -1.205 -0.038 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.568 -2.705 0.216 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.321 -3.240 1.491 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.378 -4.617 1.707 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.689 -5.477 0.656 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.946 -4.961 -0.612 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.889 -3.584 -0.832 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.843 -0.711 -0.489 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.618 -1.166 -1.360 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.160 -0.614 0.465 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.049 -0.158 1.603 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.807 0.572 -0.100 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.845 0.742 0.893 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.556 0.338 0.798 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.162 -0.270 -0.329 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.041 -0.485 -1.385 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.368 -0.061 -1.267 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 10.179 2.357 0.559 0.00 0.00 +0.088 C ATOM 19 C LIG 1 8.777 1.866 0.376 0.00 0.00 +0.126 A ATOM 20 N LIG 1 8.158 2.155 -0.782 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 6.882 1.727 -0.903 0.00 0.00 +0.122 A ATOM 22 C LIG 1 6.189 1.026 0.068 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.931 0.797 1.214 0.00 0.00 +0.122 A ATOM 24 N LIG 1 8.207 1.203 1.397 0.00 0.00 -0.240 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.617 -0.448 0.589 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.463 -0.433 1.599 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.958 -0.923 0.258 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -5.046 0.048 0.781 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.435 -0.594 0.657 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.995 1.403 0.085 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.514 2.522 0.784 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.441 3.774 0.169 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.846 3.926 -1.159 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.321 2.820 -1.868 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.391 1.567 -1.252 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.771 5.209 -1.794 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.713 6.245 -2.315 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9