REMARK Name = BDB034810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.358 -3.503 -2.461 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.220 -4.451 -2.799 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.821 -3.477 -1.125 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.862 -2.315 -0.340 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.320 -2.412 0.960 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -1.412 -1.441 1.969 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -1.965 -2.034 3.127 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -2.186 -3.389 2.807 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.743 -4.374 3.687 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -2.204 -1.480 4.189 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -1.790 -3.615 1.484 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -1.822 -4.767 0.732 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.337 -4.685 -0.580 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -1.058 -0.046 1.851 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -2.278 0.815 1.517 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -1.987 2.322 1.392 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -1.363 2.921 2.655 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -3.294 3.059 1.074 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -1.122 2.546 0.281 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -0.186 2.470 0.570 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 1.702 -0.612 -3.263 0.00 0.00 +0.220 A ATOM 22 N LIG 1 0.886 -1.447 -2.596 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 0.506 -2.613 -3.156 0.00 0.00 +0.147 A ATOM 24 C LIG 1 0.920 -2.943 -4.439 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.471 -4.404 -5.228 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 1.763 -2.049 -5.053 0.00 0.00 +0.137 A ATOM 27 N LIG 1 2.173 -0.898 -4.486 0.00 0.00 -0.221 NA BRANCH 21 33 ATOM 28 C LIG 1 2.318 4.341 1.962 0.00 0.00 +0.172 C ATOM 29 N LIG 1 2.447 3.574 0.747 0.00 0.00 -0.274 N ATOM 30 N LIG 1 1.743 2.425 0.606 0.00 0.00 -0.175 NA ATOM 31 C LIG 1 2.099 2.004 -0.616 0.00 0.00 +0.083 A ATOM 32 C LIG 1 1.611 0.745 -1.278 0.00 0.00 +0.165 C ATOM 33 N LIG 1 2.034 0.607 -2.688 0.00 0.00 -0.293 N ATOM 34 C LIG 1 3.360 1.149 -3.034 0.00 0.00 +0.113 C ATOM 35 C LIG 1 3.497 2.642 -2.633 0.00 0.00 +0.057 C ATOM 36 C LIG 1 3.003 2.882 -1.251 0.00 0.00 -0.004 A ATOM 37 C LIG 1 3.214 3.889 -0.341 0.00 0.00 +0.112 A ENDBRANCH 21 33 ENDBRANCH 1 23 TORSDOF 7