REMARK Name = BDB024312 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 -0.769 -1.899 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.119 -2.278 -2.100 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.208 -3.163 -1.012 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.189 -4.544 -1.216 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.092 -5.058 -2.507 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.022 -4.193 -3.597 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.040 -2.812 -3.396 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.117 -0.340 -0.798 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.191 -0.409 -1.232 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.387 -0.795 -2.146 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.479 0.023 0.321 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.355 -0.091 -0.536 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.478 -0.317 -1.250 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 4.667 -0.036 -0.656 0.00 0.00 +0.123 A ATOM 15 C LIG 1 4.807 0.469 0.631 0.00 0.00 +0.022 A ATOM 16 C LIG 1 3.625 0.695 1.339 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.387 0.414 0.754 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.112 0.751 1.216 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.255 1.277 2.447 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 7.591 1.370 2.570 0.00 0.00 -0.186 N ATOM 21 C LIG 1 8.194 1.868 3.782 0.00 0.00 +0.197 C ATOM 22 N LIG 1 8.347 0.945 1.543 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 7.409 0.554 0.677 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.506 -0.322 -1.572 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.677 -0.566 -0.592 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.674 1.128 -1.730 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.249 3.096 -1.544 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.080 1.596 -1.276 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.394 1.293 0.184 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.520 1.655 1.221 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.830 1.361 2.551 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.023 0.705 2.866 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.904 0.346 1.843 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.591 0.638 0.513 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.341 0.403 4.231 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.602 0.160 5.335 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9