REMARK Name = BDB059006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.608 0.942 -0.779 0.00 0.00 +0.143 A ATOM 2 C LIG 1 3.013 -0.187 -0.038 0.00 0.00 +0.076 A ATOM 3 C LIG 1 2.062 -0.908 0.682 0.00 0.00 +0.029 A ATOM 4 C LIG 1 0.718 -0.517 0.667 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.301 0.601 -0.060 0.00 0.00 +0.036 A ATOM 6 C LIG 1 1.260 1.319 -0.791 0.00 0.00 +0.070 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 4.388 -0.510 -0.074 0.00 0.00 -0.278 N ATOM 8 H LIG 1 4.926 0.126 -0.649 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 5.040 -1.593 0.489 0.00 0.00 +0.255 C ATOM 10 O LIG 1 4.469 -2.496 1.093 0.00 0.00 -0.269 OA BRANCH 9 11 ATOM 11 C LIG 1 6.489 -1.577 0.280 0.00 0.00 +0.075 A ATOM 12 S LIG 1 7.367 -3.037 0.449 0.00 0.00 -0.084 S ATOM 13 C LIG 1 8.868 -2.289 0.070 0.00 0.00 +0.020 A ATOM 14 C LIG 1 8.710 -0.924 -0.168 0.00 0.00 -0.010 A ATOM 15 C LIG 1 9.860 -0.161 -0.484 0.00 0.00 +0.009 A ATOM 16 C LIG 1 11.115 -0.771 -0.560 0.00 0.00 +0.001 A ATOM 17 C LIG 1 11.247 -2.132 -0.324 0.00 0.00 +0.001 A ATOM 18 C LIG 1 10.131 -2.909 -0.004 0.00 0.00 +0.015 A ATOM 19 C LIG 1 7.335 -0.530 -0.036 0.00 0.00 +0.029 A ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 21 ATOM 20 C LIG 1 3.256 2.766 -2.177 0.00 0.00 +0.277 C ATOM 21 O LIG 1 3.616 1.594 -1.454 0.00 0.00 -0.493 OA ENDBRANCH 1 21 BRANCH 5 22 ATOM 22 N LIG 1 -1.044 1.019 -0.136 0.00 0.00 -0.297 N ATOM 23 H LIG 1 -1.390 0.968 -1.092 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.125 0.690 0.700 0.00 0.00 +0.164 A ATOM 25 C LIG 1 -2.035 0.677 2.077 0.00 0.00 +0.181 A ATOM 26 F LIG 1 -0.911 0.973 2.742 0.00 0.00 -0.200 F ATOM 27 C LIG 1 -3.182 0.365 2.754 0.00 0.00 +0.156 A ATOM 28 N LIG 1 -4.350 0.088 2.143 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 -4.378 0.138 0.799 0.00 0.00 +0.220 A ATOM 30 N LIG 1 -3.290 0.440 0.066 0.00 0.00 -0.196 NA BRANCH 29 31 ATOM 31 N LIG 1 -5.556 -0.151 0.155 0.00 0.00 -0.297 N ATOM 32 C LIG 1 -5.710 0.109 -1.273 0.00 0.00 +0.126 C ATOM 33 C LIG 1 -7.053 0.827 -1.594 0.00 0.00 +0.068 C ATOM 34 C LIG 1 -6.990 2.307 -1.201 0.00 0.00 +0.025 C ATOM 35 N LIG 1 -8.268 0.245 -0.984 0.00 0.00 -0.308 NA ATOM 36 H LIG 1 -8.838 -0.197 -1.704 0.00 0.00 +0.123 HD ATOM 37 C LIG 1 -7.957 -0.755 0.058 0.00 0.00 +0.068 C ATOM 38 C LIG 1 -9.211 -0.982 0.898 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -6.761 -0.355 0.959 0.00 0.00 +0.126 C ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 5 22 TORSDOF 6