REMARK Name = BDB032836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.669 1.031 0.491 0.00 0.00 +0.253 C ATOM 2 N LIG 1 1.047 0.052 -0.398 0.00 0.00 -0.261 N ATOM 3 H LIG 1 0.431 -0.189 -1.162 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 1.344 1.485 1.407 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.751 0.906 -0.330 0.00 0.00 +0.144 A ATOM 6 C LIG 1 -0.690 1.609 0.260 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -0.911 2.933 0.667 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.149 3.546 0.455 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.182 2.843 -0.165 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.986 1.522 -0.562 0.00 0.00 +0.047 A BRANCH 5 11 ATOM 11 O LIG 1 -1.602 -0.422 -0.749 0.00 0.00 -0.425 OA BRANCH 11 13 ATOM 12 C LIG 1 -1.837 -2.726 -0.336 0.00 0.00 +0.136 C ATOM 13 C LIG 1 -2.061 -1.341 0.193 0.00 0.00 +0.309 C ATOM 14 O LIG 1 -2.558 -1.086 1.280 0.00 0.00 -0.251 OA ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 2.212 -0.669 -0.399 0.00 0.00 +0.167 A ATOM 16 S LIG 1 3.440 -0.469 0.765 0.00 0.00 -0.030 S ATOM 17 C LIG 1 4.353 -1.679 -0.006 0.00 0.00 +0.166 A ATOM 18 C LIG 1 3.666 -2.163 -1.095 0.00 0.00 +0.152 A ATOM 19 N LIG 1 2.427 -1.584 -1.319 0.00 0.00 -0.231 NA BRANCH 17 20 ATOM 20 N LIG 1 5.679 -2.176 0.386 0.00 0.00 -0.022 NA ATOM 21 O LIG 1 6.165 -1.642 1.388 0.00 0.00 -0.143 OA ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 5