REMARK Name = BDB034422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.125 -0.294 -1.250 0.00 0.00 +0.131 A ATOM 2 C LIG 1 4.331 -0.487 0.117 0.00 0.00 +0.074 A ATOM 3 C LIG 1 3.301 -0.346 1.037 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.997 -0.021 0.587 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.959 0.080 1.564 0.00 0.00 +0.038 A ATOM 6 C LIG 1 1.317 -0.053 2.907 0.00 0.00 +0.043 A ATOM 7 C LIG 1 2.623 -0.363 3.233 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.807 0.175 -0.804 0.00 0.00 +0.015 A ATOM 9 N LIG 1 3.604 -0.528 2.330 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.857 0.030 -1.711 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.352 0.424 1.186 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.550 0.178 0.221 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.505 0.164 2.048 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -1.826 -1.327 2.179 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -2.111 -2.055 0.858 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.216 -1.528 0.060 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -3.141 -0.518 -0.047 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.527 -1.829 0.639 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -5.630 -1.231 -0.199 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -6.372 -0.125 0.226 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -7.394 0.429 -0.561 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -7.674 -0.135 -1.805 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -6.937 -1.235 -2.252 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -5.924 -1.776 -1.458 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 -6.098 0.445 1.445 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -6.744 1.176 1.526 0.00 0.00 +0.292 HD ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O LIG 1 -8.033 1.508 -0.001 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -9.070 2.104 -0.773 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 O LIG 1 5.097 -0.452 -2.215 0.00 0.00 -0.452 OA BRANCH 29 31 ATOM 30 C LIG 1 6.803 1.191 -1.665 0.00 0.00 +0.162 A ATOM 31 C LIG 1 6.391 -0.138 -1.862 0.00 0.00 +0.170 A ATOM 32 C LIG 1 7.299 -1.196 -1.770 0.00 0.00 +0.050 A ATOM 33 C LIG 1 8.627 -0.941 -1.438 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.046 0.371 -1.220 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.141 1.433 -1.338 0.00 0.00 +0.049 A BRANCH 30 37 ATOM 36 C LIG 1 6.165 3.464 -1.364 0.00 0.00 +0.277 C ATOM 37 O LIG 1 5.854 2.162 -1.841 0.00 0.00 -0.491 OA ENDBRANCH 30 37 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 12