REMARK Name = BDB002369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.312 -0.517 0.130 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.074 -0.947 -0.431 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.898 -0.279 -0.655 0.00 0.00 -0.300 N ATOM 4 H LIG 1 0.799 0.341 -1.456 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 2.209 -1.774 0.470 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.218 -0.598 -1.409 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.818 0.492 0.112 0.00 0.00 +0.230 C ATOM 8 N LIG 1 4.437 -0.629 -0.598 0.00 0.00 -0.302 N ATOM 9 H LIG 1 4.625 -1.525 -0.165 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 4.291 1.590 -0.076 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 6.012 0.298 1.090 0.00 0.00 +0.137 C ATOM 12 C LIG 1 5.937 -0.982 1.921 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 5.191 1.650 2.986 0.00 0.00 +0.101 C ATOM 14 N LIG 1 6.187 1.512 1.929 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 6.080 2.315 1.300 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 3.292 -1.615 -2.568 0.00 0.00 +0.012 C ATOM 17 C LIG 1 2.019 -1.613 -3.421 0.00 0.00 +0.009 C ATOM 18 C LIG 1 4.497 -1.330 -3.474 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.496 0.069 -0.668 0.00 0.00 +0.236 C ATOM 20 N LIG 1 -2.722 -0.062 -0.064 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.753 -0.461 0.874 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.343 0.580 -1.778 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.963 0.370 -0.685 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -5.010 0.714 0.365 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -6.353 0.311 0.225 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -7.289 0.659 1.212 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.914 1.430 2.310 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.599 1.864 2.435 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.811 -0.525 -0.944 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -5.859 -0.448 -2.133 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -4.656 1.514 1.468 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -4.433 -0.709 -1.673 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.215 0.044 1.566 0.00 0.00 +0.141 C ATOM 34 C LIG 1 -0.119 1.565 1.630 0.00 0.00 +0.040 C BRANCH 33 35 ATOM 35 O LIG 1 -1.348 -0.384 2.338 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -1.151 -0.169 3.269 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 10