REMARK Name = BDB034233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.004 1.179 -0.745 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.074 0.351 -1.096 0.00 0.00 +0.051 A ATOM 3 C LIG 1 3.194 0.356 -0.282 0.00 0.00 -0.015 A ATOM 4 C LIG 1 4.459 -0.428 -0.401 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.213 0.015 0.767 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.551 1.002 1.479 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.956 1.631 2.438 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.251 1.195 0.829 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.230 2.064 1.163 0.00 0.00 +0.017 A ATOM 10 C LIG 1 1.097 2.061 0.347 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.617 -0.307 1.002 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.014 -1.756 0.672 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.218 -2.686 0.564 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.364 -1.988 0.532 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.620 -2.941 0.312 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.351 -1.055 0.338 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.479 -1.393 -0.006 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.981 0.384 0.604 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.530 0.655 0.241 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -0.080 1.259 -1.564 0.00 0.00 -0.487 OA BRANCH 20 22 ATOM 21 C LIG 1 -1.903 0.490 0.043 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -1.180 0.346 -1.336 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -0.912 -1.103 -1.780 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -0.410 -2.034 -0.679 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -1.231 -1.920 0.596 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -1.286 -0.476 1.083 0.00 0.00 +0.022 C BRANCH 21 30 ATOM 27 C LIG 1 -5.811 2.447 0.672 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -5.245 1.106 0.199 0.00 0.00 +0.018 C ATOM 29 C LIG 1 -4.072 1.255 -0.827 0.00 0.00 +0.097 C ATOM 30 N LIG 1 -3.350 0.178 -0.097 0.00 0.00 -0.294 NA ATOM 31 C LIG 1 -4.113 0.550 1.125 0.00 0.00 +0.097 C BRANCH 28 32 ATOM 32 C LIG 1 -6.469 0.126 -0.185 0.00 0.00 -0.039 A ATOM 33 C LIG 1 -7.065 -0.735 0.761 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.136 -1.573 0.437 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.654 -1.573 -0.852 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.104 -0.732 -1.811 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.033 0.104 -1.478 0.00 0.00 +0.004 A ENDBRANCH 28 32 ENDBRANCH 21 30 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5