REMARK Name = BDB029727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.886 -1.415 0.346 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.173 -0.496 -0.445 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.135 -0.673 -0.115 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.482 -0.173 -0.471 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.324 -1.117 0.338 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.542 -2.011 1.123 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.888 -2.895 1.889 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.177 -1.690 0.783 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.056 -2.165 1.065 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.751 -1.139 0.259 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -4.428 -0.449 -0.762 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -5.809 -0.492 -0.801 0.00 0.00 +0.168 A ATOM 13 O LIG 1 -6.592 0.122 -1.729 0.00 0.00 -0.453 OA ATOM 14 C LIG 1 -7.906 -0.264 -1.271 0.00 0.00 +0.466 C ATOM 15 O LIG 1 -7.880 -1.101 -0.097 0.00 0.00 -0.453 OA ATOM 16 C LIG 1 -6.543 -1.188 0.124 0.00 0.00 +0.166 A ATOM 17 C LIG 1 -5.931 -1.882 1.138 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -4.530 -1.855 1.200 0.00 0.00 +0.027 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.702 1.282 -0.086 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.061 2.222 -1.069 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.272 3.562 -0.733 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.126 3.977 0.588 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.381 5.628 0.998 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.773 3.064 1.577 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.564 1.724 1.243 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.995 -2.133 0.309 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.612 -0.886 0.621 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.281 -0.666 0.647 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.330 -1.623 0.340 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.852 -2.869 0.061 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.172 -3.147 0.020 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.177 -1.383 0.669 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.335 -2.446 0.247 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.832 0.598 0.985 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.859 1.462 1.463 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.734 0.354 -1.492 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.685 1.840 -1.143 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.107 0.084 -2.862 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6