REMARK Name = BDB034740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.457 -2.020 0.272 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.104 -2.488 0.899 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.969 -0.818 -0.264 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.312 -0.484 -0.011 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -2.814 0.676 -0.567 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -4.091 1.250 -0.474 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -4.123 2.426 -1.260 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -2.828 2.572 -1.799 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.406 3.618 -2.684 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -5.083 3.160 -1.435 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -2.035 1.497 -1.381 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -0.726 1.192 -1.673 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.202 0.020 -1.110 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -5.229 0.687 0.208 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.946 -0.359 -0.645 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -7.235 -0.935 -0.029 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -8.339 0.119 0.085 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -6.985 -1.601 1.326 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -7.692 -1.953 -0.929 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -8.546 -2.287 -0.605 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 3.125 -1.777 0.817 0.00 0.00 +0.220 A ATOM 22 N LIG 1 1.857 -1.438 0.526 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 0.881 -2.367 0.597 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.169 -3.675 0.956 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 -0.023 -4.907 1.083 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 2.486 -3.947 1.231 0.00 0.00 +0.137 A ATOM 27 N LIG 1 3.466 -3.026 1.171 0.00 0.00 -0.221 NA BRANCH 21 33 ATOM 28 C LIG 1 4.319 2.998 0.914 0.00 0.00 +0.039 C ATOM 29 C LIG 1 4.771 1.574 0.615 0.00 0.00 +0.133 C ATOM 30 O LIG 1 5.918 1.307 1.442 0.00 0.00 -0.370 OA ATOM 31 C LIG 1 6.425 -0.030 1.269 0.00 0.00 +0.139 C ATOM 32 C LIG 1 5.333 -1.103 1.496 0.00 0.00 +0.140 C ATOM 33 N LIG 1 4.121 -0.806 0.712 0.00 0.00 -0.295 N ATOM 34 C LIG 1 3.631 0.571 0.882 0.00 0.00 +0.139 C BRANCH 31 35 ATOM 35 C LIG 1 7.109 -0.167 -0.071 0.00 0.00 +0.019 C ATOM 36 C LIG 1 8.346 0.643 -0.375 0.00 0.00 +0.006 C ATOM 37 C LIG 1 8.454 -0.844 -0.183 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 21 33 ENDBRANCH 1 23 TORSDOF 8