REMARK Name = BDB022911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.618 -0.237 2.946 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.348 -0.484 2.141 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.431 -0.607 0.667 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.061 0.267 -0.222 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.557 0.533 -1.319 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.217 -1.247 0.131 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.050 -0.552 0.600 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.026 0.247 1.734 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.233 0.805 2.083 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.377 0.587 1.411 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 3.318 -0.213 0.335 0.00 0.00 +0.220 A ATOM 12 N LIG 1 2.187 -0.802 -0.088 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -0.237 0.525 2.501 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.407 0.886 0.139 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.384 0.829 -1.063 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.522 1.882 -0.934 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.712 2.531 0.370 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.550 1.777 1.291 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.481 3.008 1.001 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.191 2.354 0.508 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.851 -0.597 -1.345 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.182 -1.351 -2.325 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.555 -2.667 -2.603 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.604 -3.255 -1.904 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.275 -2.526 -0.926 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.900 -1.209 -0.647 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.453 -0.495 -0.426 0.00 0.00 -0.281 N ATOM 28 H LIG 1 4.165 -1.092 -1.190 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 5.731 -0.091 -0.293 0.00 0.00 +0.075 A ATOM 30 C LIG 1 6.758 -0.436 -1.142 0.00 0.00 +0.060 A ATOM 31 C LIG 1 6.832 -1.289 -2.360 0.00 0.00 +0.057 C ATOM 32 C LIG 1 8.099 -1.013 -3.175 0.00 0.00 +0.008 C ATOM 33 C LIG 1 9.332 -0.958 -2.270 0.00 0.00 +0.024 C ATOM 34 C LIG 1 9.194 0.152 -1.228 0.00 0.00 +0.144 C ATOM 35 N LIG 1 7.872 0.176 -0.630 0.00 0.00 -0.266 N ATOM 36 N LIG 1 7.642 0.900 0.477 0.00 0.00 -0.177 NA ATOM 37 C LIG 1 6.330 0.733 0.684 0.00 0.00 +0.158 A ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4