REMARK Name = BDB036272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.726 -1.666 0.389 0.00 0.00 +0.061 A ATOM 2 C LIG 1 1.443 -0.297 0.105 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.241 -0.021 -0.511 0.00 0.00 -0.271 N ATOM 4 C LIG 1 0.178 1.341 -0.675 0.00 0.00 +0.120 A ATOM 5 C LIG 1 1.355 1.846 -0.152 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -0.696 -1.017 -0.854 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.430 -2.265 -0.581 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.127 0.808 0.329 0.00 0.00 -0.230 NA ATOM 9 C LIG 1 0.777 -2.555 0.022 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 5.948 -4.139 1.702 0.00 0.00 +0.067 C ATOM 11 C LIG 1 4.784 -3.227 1.607 0.00 0.00 +0.061 A ATOM 12 N LIG 1 4.625 -2.242 2.494 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 3.495 -1.610 2.102 0.00 0.00 -0.266 N ATOM 14 C LIG 1 3.021 -0.522 2.930 0.00 0.00 +0.173 C ATOM 15 C LIG 1 2.923 -2.171 0.981 0.00 0.00 +0.074 A ATOM 16 C LIG 1 3.748 -3.232 0.651 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 -1.876 -0.635 -1.457 0.00 0.00 -0.310 N ATOM 18 H LIG 1 -1.885 0.261 -1.930 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.772 -1.606 -2.055 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 -4.111 -0.968 -2.287 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -4.949 -0.604 -1.235 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -4.733 -0.689 0.229 0.00 0.00 +0.080 C ATOM 23 C LIG 1 -6.154 -0.390 0.707 0.00 0.00 +0.234 C ATOM 24 O LIG 1 -6.865 0.321 -0.332 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -6.173 0.009 -1.472 0.00 0.00 +0.124 A ATOM 26 C LIG 1 -6.622 0.288 -2.747 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -5.805 -0.075 -3.817 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.568 -0.693 -3.582 0.00 0.00 +0.129 A ATOM 29 F LIG 1 -3.803 -1.008 -4.638 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 1.842 3.271 -0.073 0.00 0.00 +0.105 C BRANCH 30 31 ATOM 31 C LIG 1 2.504 3.633 1.237 0.00 0.00 +0.012 C ATOM 32 C LIG 1 3.998 3.482 1.411 0.00 0.00 +0.006 C ATOM 33 C LIG 1 3.388 4.854 1.349 0.00 0.00 +0.006 C ENDBRANCH 30 31 BRANCH 30 34 ATOM 34 N LIG 1 0.707 4.189 -0.229 0.00 0.00 -0.322 NA ATOM 35 H LIG 1 0.097 4.080 0.580 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 1.066 5.141 -0.183 0.00 0.00 +0.119 HD ENDBRANCH 30 34 ENDBRANCH 5 30 TORSDOF 7