REMARK Name = BDB034427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.971 -3.506 0.736 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.273 -2.187 1.183 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.474 -1.985 1.907 0.00 0.00 +0.076 A ATOM 4 C LIG 1 2.798 -0.707 2.340 0.00 0.00 +0.074 A ATOM 5 C LIG 1 1.968 0.387 2.094 0.00 0.00 +0.130 A ATOM 6 C LIG 1 0.764 0.200 1.427 0.00 0.00 +0.047 A ATOM 7 N LIG 1 3.318 -2.982 2.209 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 2.980 -4.227 1.826 0.00 0.00 +0.113 A ATOM 9 C LIG 1 0.428 -1.074 0.968 0.00 0.00 +0.015 A ATOM 10 C LIG 1 1.837 -4.534 1.112 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.217 -3.749 0.014 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.343 -3.039 -0.711 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -0.540 -5.096 -0.451 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -1.869 -5.121 -1.213 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.103 -4.819 -0.347 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.168 -3.447 0.159 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -2.225 -3.182 0.468 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.621 -2.503 -0.869 0.00 0.00 +0.120 C BRANCH 18 21 ATOM 19 C LIG 1 -2.435 1.151 -0.815 0.00 0.00 +0.162 A ATOM 20 C LIG 1 -2.631 -0.184 -1.204 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -3.407 -1.069 -0.448 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -4.005 -0.579 0.723 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.822 0.749 1.118 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.040 1.616 0.351 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 -1.236 3.169 -1.194 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -1.636 1.883 -1.658 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 -2.009 -0.627 -2.347 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 -1.553 0.164 -2.699 0.00 0.00 +0.292 HD ENDBRANCH 20 27 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 O LIG 1 2.373 1.595 2.614 0.00 0.00 -0.456 OA BRANCH 29 30 ATOM 30 C LIG 1 2.112 2.735 1.887 0.00 0.00 +0.130 A ATOM 31 C LIG 1 2.458 2.859 0.534 0.00 0.00 +0.069 A ATOM 32 C LIG 1 2.230 4.048 -0.182 0.00 0.00 +0.033 A ATOM 33 C LIG 1 1.637 5.103 0.538 0.00 0.00 +0.023 A ATOM 34 C LIG 1 1.310 4.993 1.897 0.00 0.00 +0.005 A ATOM 35 C LIG 1 1.557 3.808 2.575 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 2.521 4.175 -1.549 0.00 0.00 -0.336 N ATOM 37 C LIG 1 2.922 5.499 -2.027 0.00 0.00 +0.129 C ATOM 38 C LIG 1 3.133 3.049 -2.254 0.00 0.00 +0.129 C ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 12