REMARK Name = BDB001507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.757 2.212 2.180 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -0.505 2.380 3.149 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.134 1.884 2.084 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.020 2.557 2.908 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -2.604 3.460 3.806 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -4.346 2.244 2.778 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -4.804 1.330 1.902 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -3.897 0.715 1.128 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -2.577 0.971 1.195 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -4.255 -0.247 0.191 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.421 -0.583 -0.269 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -5.469 -0.810 -0.218 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -6.715 -0.448 0.307 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -7.898 -1.049 -0.142 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.839 -2.025 -1.127 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.621 -2.407 -1.667 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.445 -1.802 -1.214 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -8.964 -2.636 -1.593 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -9.731 -2.265 -1.128 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 2.580 1.044 -0.152 0.00 0.00 +0.037 A ATOM 21 C LIG 1 2.743 1.479 1.166 0.00 0.00 +0.015 A ATOM 22 C LIG 1 1.625 1.853 1.922 0.00 0.00 +0.024 A ATOM 23 C LIG 1 0.327 1.789 1.387 0.00 0.00 +0.032 A ATOM 24 C LIG 1 0.189 1.395 0.051 0.00 0.00 +0.024 A ATOM 25 C LIG 1 1.301 1.023 -0.714 0.00 0.00 +0.015 A BRANCH 20 27 ATOM 26 O LIG 1 3.709 0.909 -2.191 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 3.740 0.640 -0.996 0.00 0.00 +0.248 C ATOM 28 N LIG 1 4.734 -0.046 -0.322 0.00 0.00 -0.281 N ATOM 29 H LIG 1 4.542 -0.308 0.636 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 5.957 -0.512 -0.846 0.00 0.00 +0.034 A ATOM 31 C LIG 1 6.396 -0.260 -2.148 0.00 0.00 +0.027 A ATOM 32 C LIG 1 7.628 -0.753 -2.593 0.00 0.00 +0.047 A ATOM 33 C LIG 1 8.423 -1.497 -1.730 0.00 0.00 +0.117 A ATOM 34 C LIG 1 8.006 -1.755 -0.431 0.00 0.00 +0.047 A ATOM 35 C LIG 1 6.776 -1.262 0.010 0.00 0.00 +0.027 A BRANCH 33 36 ATOM 36 O LIG 1 9.629 -1.995 -2.122 0.00 0.00 -0.507 OA ATOM 37 H LIG 1 9.778 -1.744 -3.049 0.00 0.00 +0.292 HD ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 8