REMARK Name = BDB039359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.539 -2.316 0.744 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.164 -1.410 -0.101 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.480 -0.272 -0.627 0.00 0.00 +0.019 A ATOM 4 C LIG 1 1.807 -0.060 -0.309 0.00 0.00 -0.017 A ATOM 5 C LIG 1 2.719 1.052 -0.702 0.00 0.00 +0.144 C ATOM 6 N LIG 1 3.989 0.647 -0.114 0.00 0.00 -0.282 N ATOM 7 C LIG 1 3.852 -0.475 0.690 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.673 -0.987 1.425 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.477 -0.955 0.518 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.880 -2.080 1.059 0.00 0.00 +0.059 A ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -1.582 -1.630 -0.446 0.00 0.00 +0.059 A ATOM 12 N LIG 1 -1.989 -2.600 -1.375 0.00 0.00 -0.298 N ATOM 13 C LIG 1 -3.317 -2.814 -1.718 0.00 0.00 +0.066 A ATOM 14 C LIG 1 -3.299 -3.819 -2.657 0.00 0.00 +0.138 A ATOM 15 N LIG 1 -2.015 -4.232 -2.908 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 -4.310 -2.021 -1.084 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -3.947 -1.075 -0.189 0.00 0.00 -0.029 A ATOM 18 C LIG 1 -1.258 -3.492 -2.126 0.00 0.00 +0.204 A ATOM 19 C LIG 1 -2.533 -0.880 0.151 0.00 0.00 +0.032 A BRANCH 17 20 ATOM 20 C LIG 1 -4.972 -0.232 0.540 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 N LIG 1 -5.308 1.010 -0.161 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -4.236 2.006 -0.157 0.00 0.00 +0.085 C ATOM 23 C LIG 1 -4.948 3.295 -0.543 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -6.411 3.069 -0.182 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -6.449 1.690 0.457 0.00 0.00 +0.085 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 2 11 BRANCH 6 26 ATOM 26 C LIG 1 5.125 1.562 -0.062 0.00 0.00 +0.163 C ATOM 27 C LIG 1 5.071 2.439 1.199 0.00 0.00 +0.240 C ATOM 28 O LIG 1 4.022 2.785 1.741 0.00 0.00 -0.273 OA ATOM 29 N LIG 1 6.277 2.932 1.641 0.00 0.00 -0.255 N ATOM 30 H LIG 1 6.238 3.536 2.451 0.00 0.00 +0.158 HD ATOM 31 C LIG 1 7.513 2.781 1.064 0.00 0.00 +0.219 C ATOM 32 O LIG 1 8.490 3.386 1.497 0.00 0.00 -0.275 OA ATOM 33 C LIG 1 7.585 1.915 -0.172 0.00 0.00 +0.098 C ATOM 34 C LIG 1 6.482 0.868 -0.175 0.00 0.00 +0.041 C ENDBRANCH 6 26 BRANCH 1 36 ATOM 35 C LIG 1 0.493 -4.342 2.010 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -0.185 -3.389 1.201 0.00 0.00 -0.494 OA ENDBRANCH 1 36 TORSDOF 5