REMARK Name = BDB062114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.312 0.130 1.393 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.517 0.888 0.592 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.579 0.084 0.217 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.330 -1.133 0.844 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.224 -2.202 0.681 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.361 -2.022 -0.118 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.590 -0.789 -0.744 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.707 0.288 -0.588 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.172 -1.083 1.565 0.00 0.00 -0.230 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.286 -3.120 -0.305 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.630 -3.084 -0.002 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.544 -2.071 0.559 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.188 -4.288 -0.299 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.219 -5.142 -0.789 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.078 -4.441 -0.786 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -2.821 -5.068 -1.257 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 C LIG 1 -0.337 2.275 0.168 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.822 2.443 -0.824 0.00 0.00 +0.027 C ATOM 19 C LIG 1 0.890 3.861 -1.409 0.00 0.00 +0.033 C ATOM 20 C LIG 1 0.369 4.952 -0.460 0.00 0.00 +0.118 C ATOM 21 C LIG 1 0.536 4.533 1.001 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.265 3.271 1.341 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -1.031 5.160 -0.682 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -1.297 6.121 -1.698 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 1 26 ATOM 25 N LIG 1 2.654 -0.485 2.192 0.00 0.00 -0.260 N ATOM 26 C LIG 1 1.653 0.576 2.073 0.00 0.00 +0.156 C ATOM 27 C LIG 1 1.583 0.571 3.618 0.00 0.00 +0.127 C ATOM 28 C LIG 1 2.679 -0.501 3.548 0.00 0.00 +0.223 C ATOM 29 O LIG 1 3.340 -1.097 4.367 0.00 0.00 -0.275 OA BRANCH 25 34 ATOM 30 C LIG 1 4.963 -2.480 -0.732 0.00 0.00 +0.138 A ATOM 31 C LIG 1 5.164 -2.727 0.634 0.00 0.00 +0.084 A ATOM 32 CL LIG 1 6.364 -3.852 1.174 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 4.398 -2.071 1.605 0.00 0.00 +0.047 A ATOM 34 C LIG 1 3.419 -1.147 1.233 0.00 0.00 +0.039 A ATOM 35 C LIG 1 3.218 -0.901 -0.129 0.00 0.00 +0.027 A ATOM 36 C LIG 1 3.981 -1.559 -1.103 0.00 0.00 +0.049 A BRANCH 30 38 ATOM 37 C LIG 1 5.501 -3.003 -3.001 0.00 0.00 +0.277 C ATOM 38 O LIG 1 5.758 -3.165 -1.613 0.00 0.00 -0.494 OA ENDBRANCH 30 38 ENDBRANCH 25 34 ENDBRANCH 1 26 TORSDOF 6