REMARK Name = BDB014343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.286 0.533 -0.623 0.00 0.00 -0.343 N ATOM 2 C LIG 1 -0.703 -0.136 0.074 0.00 0.00 +0.094 A ATOM 3 C LIG 1 -1.725 0.791 0.282 0.00 0.00 +0.097 A ATOM 4 N LIG 1 -2.854 0.513 0.965 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 -2.917 -0.742 1.423 0.00 0.00 +0.219 A ATOM 6 N LIG 1 -1.992 -1.710 1.268 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 -1.372 2.018 -0.341 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.865 -1.429 0.576 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.119 1.822 -0.887 0.00 0.00 +0.092 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.138 -1.100 2.173 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.190 -2.374 2.644 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.389 -2.441 3.280 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -5.842 -3.415 3.852 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.965 -1.209 3.145 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -6.867 -0.940 3.514 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.172 -0.358 2.443 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 0.063 -2.534 0.415 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.164 -3.246 -0.787 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.059 -4.307 -0.891 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.215 -5.175 -2.363 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.826 -4.637 0.215 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.750 -3.987 1.400 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.858 -2.969 1.475 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 1.578 0.021 -1.058 0.00 0.00 +0.125 C BRANCH 24 29 ATOM 25 C LIG 1 4.746 -0.941 2.611 0.00 0.00 +0.007 C ATOM 26 C LIG 1 5.088 0.144 1.585 0.00 0.00 -0.014 C ATOM 27 C LIG 1 4.094 1.318 1.648 0.00 0.00 +0.003 C ATOM 28 C LIG 1 3.112 1.379 0.473 0.00 0.00 +0.005 C ATOM 29 C LIG 1 2.644 -0.018 0.052 0.00 0.00 +0.009 C ATOM 30 C LIG 1 3.838 -0.880 -0.402 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.185 -0.433 0.171 0.00 0.00 +0.003 C ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.188 3.266 -0.371 0.00 0.00 +0.074 C BRANCH 32 33 ATOM 33 C LIG 1 -3.010 3.200 -1.635 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -4.264 2.569 -1.638 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.024 2.503 -2.807 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.540 3.066 -3.986 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.297 3.695 -3.998 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.535 3.761 -2.831 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6