REMARK Name = BDB021346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.069 -0.165 0.676 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.733 -1.272 1.080 0.00 0.00 +0.151 A ATOM 3 N LIG 1 2.089 -1.044 1.217 0.00 0.00 -0.270 N ATOM 4 C LIG 1 2.667 -2.240 1.578 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.622 -3.131 1.663 0.00 0.00 +0.159 A ATOM 6 C LIG 1 2.683 0.216 0.994 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.934 1.219 0.627 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.429 -2.526 1.359 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.579 1.005 0.488 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.341 -0.329 0.152 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -3.538 0.243 -0.833 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -2.148 0.297 -0.666 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.539 -0.213 0.491 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -2.355 -0.795 1.469 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.742 -0.847 1.301 0.00 0.00 +0.046 A BRANCH 10 16 ATOM 16 O LIG 1 -5.703 -0.444 0.116 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 -6.365 0.021 -1.065 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 -7.874 -0.214 -0.887 0.00 0.00 +0.124 C BRANCH 18 20 ATOM 19 C LIG 1 -8.509 -0.468 -3.224 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -8.701 0.305 -1.995 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -10.116 0.275 -1.613 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 5 22 ATOM 22 C LIG 1 1.696 -4.519 2.009 0.00 0.00 +0.121 C ATOM 23 N LIG 1 1.799 -5.639 2.296 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 4.046 0.344 1.166 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.498 -0.321 1.783 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.674 1.654 1.193 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 6.165 1.490 1.136 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.826 1.098 -0.025 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.283 0.729 -1.354 0.00 0.00 +0.080 C ATOM 30 C LIG 1 7.583 0.717 -2.158 0.00 0.00 +0.234 C ATOM 31 O LIG 1 8.694 0.514 -1.253 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 8.204 0.922 -0.041 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.985 1.121 1.080 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.347 1.522 2.253 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.956 1.700 2.273 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.377 2.066 3.425 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 9