REMARK Name = BDB064651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.253 -1.432 -1.202 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.043 -1.929 -2.216 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.916 -1.581 -3.162 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.125 -1.997 -0.117 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.611 -0.390 -0.569 0.00 0.00 +0.239 C ATOM 6 N LIG 1 -1.406 0.282 -0.543 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -0.361 -0.050 -1.511 0.00 0.00 +0.164 C ATOM 8 C LIG 1 0.723 1.025 -1.328 0.00 0.00 +0.065 C ATOM 9 C LIG 1 0.113 2.041 -0.367 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -0.912 1.242 0.432 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.859 -1.184 -1.480 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -0.523 3.075 -1.118 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.368 2.731 -1.464 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.633 -0.087 0.539 0.00 0.00 +0.176 C BRANCH 14 19 ATOM 15 C LIG 1 -5.596 4.498 1.097 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -5.113 3.201 0.579 0.00 0.00 +0.056 A ATOM 17 N LIG 1 -5.160 2.925 -0.766 0.00 0.00 -0.241 NA ATOM 18 C LIG 1 -4.673 1.713 -0.898 0.00 0.00 +0.200 A ATOM 19 N LIG 1 -4.289 1.195 0.307 0.00 0.00 -0.324 N ATOM 20 C LIG 1 -4.572 2.134 1.264 0.00 0.00 +0.111 A ENDBRANCH 14 19 BRANCH 14 21 ATOM 21 C LIG 1 -4.621 -1.268 0.767 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -5.752 -1.370 -0.262 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -5.226 -1.221 2.177 0.00 0.00 +0.010 C ENDBRANCH 14 21 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.764 -3.192 -2.079 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 1.407 -4.060 -3.293 0.00 0.00 +0.231 C ATOM 26 O LIG 1 1.014 -3.595 -4.361 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 1.621 -5.402 -3.156 0.00 0.00 -0.328 N ATOM 28 H LIG 1 1.619 -5.834 -2.240 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 1.293 -5.975 -3.925 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 3.289 -2.984 -2.042 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.761 -1.982 -1.012 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.467 -2.144 0.346 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.871 -1.185 1.281 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.588 -0.045 0.889 0.00 0.00 -0.018 A ATOM 35 C LIG 1 4.901 0.096 -0.471 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.496 -0.858 -1.409 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 4.990 0.975 1.872 0.00 0.00 -0.018 A ATOM 38 C LIG 1 4.674 2.331 1.678 0.00 0.00 +0.008 A ATOM 39 C LIG 1 5.051 3.300 2.612 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.751 2.930 3.757 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.076 1.592 3.969 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.697 0.624 3.034 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10