REMARK Name = BDB014960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.103 0.608 0.951 0.00 0.00 -0.296 N ATOM 2 H LIG 1 -0.311 0.893 1.904 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.317 3.239 2.416 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -4.887 2.777 2.528 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.364 2.048 1.468 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -2.994 1.532 1.659 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.407 1.098 0.364 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.093 0.674 0.031 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.017 0.374 -1.271 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.251 0.581 -1.758 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -3.119 1.025 -0.814 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -4.545 1.396 -0.961 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.201 1.394 0.437 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -4.224 3.058 3.528 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -2.491 0.370 -3.177 0.00 0.00 +0.151 C BRANCH 15 16 ATOM 16 C LIG 1 -2.752 -1.066 -3.583 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -3.805 -1.903 -2.842 0.00 0.00 +0.167 C ATOM 18 O LIG 1 -2.942 -3.069 -2.908 0.00 0.00 -0.379 OA ATOM 19 C LIG 1 -1.800 -2.200 -3.165 0.00 0.00 +0.167 C ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.249 0.202 0.855 0.00 0.00 +0.068 A ATOM 21 C LIG 1 2.048 0.258 2.009 0.00 0.00 +0.145 A ATOM 22 F LIG 1 1.501 0.691 3.158 0.00 0.00 -0.204 F ATOM 23 C LIG 1 3.389 -0.120 2.010 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.978 -0.575 0.830 0.00 0.00 -0.012 A ATOM 25 C LIG 1 3.204 -0.638 -0.334 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.855 -0.254 -0.318 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 C LIG 1 5.371 -0.973 0.810 0.00 0.00 +0.032 A ATOM 28 C LIG 1 6.006 -2.169 0.356 0.00 0.00 +0.173 A ATOM 29 N LIG 1 7.345 -2.088 0.520 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 7.544 -0.881 1.073 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.888 -0.459 1.388 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.397 -0.176 1.272 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 5.332 -3.384 -0.224 0.00 0.00 +0.437 C ATOM 34 F LIG 1 4.876 -3.154 -1.486 0.00 0.00 -0.164 F ATOM 35 F LIG 1 4.253 -3.769 0.512 0.00 0.00 -0.164 F ATOM 36 F LIG 1 6.147 -4.472 -0.302 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 20 TORSDOF 6