REMARK Name = BDB019657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.426 -1.382 -0.190 0.00 0.00 +0.076 A ATOM 2 N LIG 1 -0.168 -1.784 -0.497 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 0.848 -0.911 -0.297 0.00 0.00 +0.126 A ATOM 4 C LIG 1 0.671 0.378 0.192 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -0.625 0.805 0.480 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.682 -0.094 0.282 0.00 0.00 +0.033 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.573 -2.579 0.459 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -2.487 -2.384 -0.416 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.431 -3.213 -1.556 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -3.419 -4.171 -1.834 0.00 0.00 -0.050 A ATOM 11 C LIG 1 -3.341 -5.016 -3.071 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -4.506 -4.297 -0.965 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -4.584 -3.504 0.177 0.00 0.00 +0.046 A BRANCH 7 15 ATOM 14 C LIG 1 -3.126 -2.539 2.710 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -3.705 -1.836 1.608 0.00 0.00 -0.494 OA ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 16 ATOM 16 C LIG 1 2.218 -1.408 -0.648 0.00 0.00 +0.263 C ATOM 17 N LIG 1 3.053 -0.485 -1.261 0.00 0.00 -0.306 N ATOM 18 H LIG 1 2.631 0.331 -1.683 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 2.561 -2.562 -0.422 0.00 0.00 -0.269 OA BRANCH 17 20 ATOM 20 C LIG 1 4.333 -0.915 -1.771 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 C LIG 1 5.145 0.268 -2.228 0.00 0.00 -0.029 A ATOM 22 C LIG 1 5.728 1.130 -1.286 0.00 0.00 +0.026 A ATOM 23 C LIG 1 6.463 2.246 -1.698 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 7.137 3.261 -0.472 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 6.624 2.509 -3.062 0.00 0.00 +0.059 A ATOM 26 CL LIG 1 7.514 3.869 -3.647 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 6.043 1.656 -4.006 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.305 0.544 -3.592 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 29 ATOM 29 C LIG 1 -0.889 2.186 1.023 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -1.251 2.096 2.422 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -0.675 1.434 2.936 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -1.452 3.195 3.177 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -2.142 4.226 2.626 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -2.941 3.920 2.084 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -2.462 5.138 3.706 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -1.497 4.672 4.801 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -1.048 3.307 4.408 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8