REMARK Name = BDB014004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.846 1.209 2.088 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.594 1.422 1.210 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.463 2.575 0.751 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.738 0.401 0.807 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.717 -0.960 1.275 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.062 -1.329 2.584 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.936 -2.675 2.995 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.475 -3.660 2.127 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.137 -3.313 0.833 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.588 -0.348 3.593 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.257 -1.984 0.416 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.950 0.105 3.122 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.482 0.411 0.384 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -4.042 1.383 1.262 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -4.206 2.322 0.895 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.070 -0.743 0.382 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.587 0.931 -0.572 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.768 -0.046 -1.732 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -6.308 3.022 -1.618 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.199 2.291 -1.022 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.431 2.216 -1.693 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.287 0.794 -0.191 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.742 0.557 0.206 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.688 -0.017 -0.707 0.00 0.00 -0.010 A ATOM 25 C LIG 1 4.026 -0.209 -0.280 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.984 -0.772 -1.150 0.00 0.00 +0.012 A ATOM 27 C LIG 1 4.686 -1.157 -2.467 0.00 0.00 -0.044 A ATOM 28 C LIG 1 3.366 -0.959 -2.882 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.413 0.165 1.014 0.00 0.00 +0.012 A ATOM 30 C LIG 1 3.507 0.763 1.884 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.395 -0.407 -2.033 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.198 0.990 1.470 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 5.697 -1.753 -3.427 0.00 0.00 +0.019 C ATOM 34 C LIG 1 6.765 -2.706 -2.951 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.145 -1.328 -3.415 0.00 0.00 +0.009 C ENDBRANCH 27 33 BRANCH 32 36 ATOM 36 O LIG 1 1.327 1.601 2.338 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 1.681 2.968 2.553 0.00 0.00 +0.277 C ENDBRANCH 32 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7