REMARK Name = BDB011270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.528 0.774 0.539 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.626 -0.298 0.635 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.630 0.234 0.619 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.037 -0.243 0.709 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.746 1.070 0.681 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.863 2.175 0.632 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.098 3.366 0.742 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.548 1.597 0.571 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.793 1.959 0.514 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.127 1.202 0.727 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.800 2.291 -0.101 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.190 2.888 -0.986 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.165 2.490 0.142 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.850 3.544 -0.588 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.912 1.608 0.902 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.342 0.560 1.505 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -7.274 -0.554 2.428 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.917 0.365 1.425 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.479 -1.144 -0.429 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.346 -0.750 -1.774 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.778 -1.582 -2.809 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.352 -2.814 -2.511 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.884 -3.842 -3.784 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.502 -3.220 -1.187 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -3.070 -2.389 -0.150 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.728 0.183 -0.543 0.00 0.00 +0.228 A ATOM 27 C LIG 1 2.985 0.644 0.526 0.00 0.00 +0.078 A ATOM 28 C LIG 1 3.743 1.002 1.615 0.00 0.00 +0.129 A ATOM 29 N LIG 1 5.087 0.894 1.671 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.726 0.420 0.587 0.00 0.00 +0.220 A ATOM 31 N LIG 1 5.071 0.058 -0.528 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 7.113 0.272 0.632 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.769 1.072 1.655 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.755 0.225 -0.672 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.889 -0.587 -2.756 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.041 -0.178 -1.690 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 1.009 -1.702 0.811 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.349 -2.353 2.027 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.811 -2.535 -0.453 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6