REMARK Name = BDB026979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.550 0.436 -0.740 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.755 0.644 -2.237 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.309 -0.289 -3.188 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.522 -0.073 -4.551 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.197 1.066 -4.981 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.668 1.989 -4.050 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.454 1.777 -2.687 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.646 -0.425 -0.227 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -2.433 -1.374 -0.547 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -3.286 0.888 1.797 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -2.778 -0.446 1.241 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -3.683 -1.626 1.695 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 -5.163 -1.496 1.400 0.00 0.00 -0.046 A ATOM 14 C LIG 1 -5.654 -1.649 0.096 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -7.020 -1.526 -0.169 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -7.905 -1.253 0.871 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -9.588 -1.101 0.545 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -7.436 -1.103 2.173 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -6.069 -1.224 2.437 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.158 -0.179 -0.422 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.046 -1.389 -0.193 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.020 0.701 -0.407 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.366 0.342 -0.057 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.158 1.482 -0.187 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.536 1.489 0.078 0.00 0.00 +0.034 A ATOM 26 C LIG 1 5.143 0.293 0.497 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.366 -0.863 0.632 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.336 2.501 -0.602 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.644 3.446 -0.787 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.990 -0.852 0.360 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.050 2.047 -0.735 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 6.569 0.272 0.777 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.191 -0.544 1.701 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.519 -0.233 1.658 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.575 -0.822 2.445 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.815 0.734 0.772 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 7.629 1.038 0.237 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8