REMARK Name = BDB058594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.420 2.282 -1.553 0.00 0.00 +0.089 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.543 1.835 -0.439 0.00 0.00 +0.021 C ATOM 3 C LIG 1 1.548 1.801 0.733 0.00 0.00 +0.023 C ATOM 4 C LIG 1 0.193 2.349 0.288 0.00 0.00 +0.085 C ATOM 5 N LIG 1 -0.437 1.524 -0.754 0.00 0.00 -0.302 NA ATOM 6 C LIG 1 0.524 0.805 -1.602 0.00 0.00 +0.085 C ATOM 7 C LIG 1 1.857 1.529 -1.784 0.00 0.00 +0.023 C BRANCH 2 11 ATOM 8 C LIG 1 6.061 -0.650 0.307 0.00 0.00 +0.036 A ATOM 9 C LIG 1 6.157 0.738 0.168 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.024 1.529 -0.070 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.754 0.956 -0.177 0.00 0.00 -0.044 A ATOM 12 C LIG 1 3.648 -0.432 -0.041 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.783 -1.219 0.198 0.00 0.00 +0.024 A BRANCH 8 16 ATOM 14 O LIG 1 8.927 0.123 0.946 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 8.497 -1.017 0.858 0.00 0.00 +0.220 C ATOM 16 N LIG 1 7.202 -1.465 0.547 0.00 0.00 -0.271 N ATOM 17 C LIG 1 7.127 -2.905 0.631 0.00 0.00 +0.114 C ATOM 18 C LIG 1 8.565 -3.362 0.513 0.00 0.00 +0.029 C ATOM 19 C LIG 1 9.344 -2.233 1.154 0.00 0.00 +0.098 C ENDBRANCH 8 16 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -2.621 2.838 -0.762 0.00 0.00 +0.053 C BRANCH 20 21 ATOM 21 C LIG 1 -3.585 1.796 -0.303 0.00 0.00 -0.008 A ATOM 22 C LIG 1 -4.924 1.685 -0.608 0.00 0.00 +0.120 A ATOM 23 N LIG 1 -5.425 0.571 0.051 0.00 0.00 -0.220 N ATOM 24 N LIG 1 -4.445 -0.030 0.773 0.00 0.00 -0.173 NA ATOM 25 C LIG 1 -3.354 0.702 0.553 0.00 0.00 +0.138 A BRANCH 23 26 ATOM 26 C LIG 1 -6.789 0.123 -0.022 0.00 0.00 +0.180 A ATOM 27 C LIG 1 -7.242 -1.010 0.671 0.00 0.00 +0.122 A ATOM 28 C LIG 1 -8.599 -1.322 0.500 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -9.137 -2.503 1.203 0.00 0.00 +0.259 A ATOM 30 N LIG 1 -8.246 -3.198 1.973 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -8.603 -4.008 2.459 0.00 0.00 +0.170 HD ATOM 32 C LIG 1 -6.942 -2.832 2.089 0.00 0.00 +0.200 A ATOM 33 O LIG 1 -10.312 -2.839 1.103 0.00 0.00 -0.267 OA ATOM 34 C LIG 1 -9.449 -0.563 -0.302 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -8.909 0.528 -0.939 0.00 0.00 +0.114 A ATOM 36 N LIG 1 -6.428 -1.814 1.496 0.00 0.00 -0.233 NA ATOM 37 N LIG 1 -7.616 0.885 -0.819 0.00 0.00 -0.234 NA ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6