REMARK Name = BDB032841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.655 0.009 -0.399 0.00 0.00 +0.251 C ATOM 2 N LIG 1 1.850 0.617 -0.091 0.00 0.00 -0.261 N ATOM 3 H LIG 1 1.868 1.606 0.116 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 0.442 -1.190 -0.537 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.745 0.644 0.042 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -0.492 0.954 -0.540 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.310 2.129 -1.293 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -1.354 3.038 -1.431 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.575 2.780 -0.817 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.762 1.604 -0.082 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -1.899 -0.506 0.841 0.00 0.00 -0.344 N ATOM 12 H LIG 1 -1.226 -1.222 0.532 0.00 0.00 +0.146 HD BRANCH 11 14 ATOM 13 C LIG 1 -3.122 -2.396 1.766 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -3.232 -1.070 1.028 0.00 0.00 +0.098 C ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 3.066 0.009 0.086 0.00 0.00 +0.167 A ATOM 16 S LIG 1 3.322 -1.657 -0.167 0.00 0.00 -0.030 S ATOM 17 C LIG 1 4.958 -1.457 0.251 0.00 0.00 +0.166 A ATOM 18 C LIG 1 5.210 -0.138 0.550 0.00 0.00 +0.152 A ATOM 19 N LIG 1 4.118 0.709 0.448 0.00 0.00 -0.231 NA BRANCH 17 20 ATOM 20 N LIG 1 5.995 -2.499 0.301 0.00 0.00 -0.022 NA ATOM 21 O LIG 1 5.616 -3.633 -0.008 0.00 0.00 -0.143 OA ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 5