REMARK Name = BDB031777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.025 -2.202 0.356 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.690 -1.321 1.402 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.457 -0.663 1.357 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.475 -0.857 0.347 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.575 -0.004 0.682 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.319 0.684 1.797 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.165 -1.766 -0.682 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.115 0.255 2.192 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.273 0.642 3.044 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.076 -2.422 -0.658 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.442 1.672 -0.334 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.063 0.332 -0.469 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.816 -0.652 0.164 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.674 -2.146 0.242 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.364 -2.905 0.343 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.859 -2.592 1.071 0.00 0.00 +0.231 C ATOM 17 N LIG 1 -6.559 -1.445 1.426 0.00 0.00 -0.273 N ATOM 18 C LIG 1 -7.761 -1.439 2.216 0.00 0.00 +0.138 C ATOM 19 O LIG 1 -6.105 -3.755 1.349 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.193 -2.959 -0.926 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.958 -0.286 0.896 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -6.366 1.028 1.026 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.593 2.008 0.402 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.493 2.485 -1.425 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.781 2.742 -0.874 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.678 0.074 -0.100 0.00 0.00 -0.281 N ATOM 27 H LIG 1 2.739 -0.546 -0.899 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.941 0.660 0.172 0.00 0.00 +0.148 A ATOM 29 C LIG 1 4.848 0.832 -0.880 0.00 0.00 +0.121 A ATOM 30 CL LIG 1 4.424 0.310 -2.479 0.00 0.00 -0.076 Cl ATOM 31 C LIG 1 6.068 1.446 -0.585 0.00 0.00 +0.145 A ATOM 32 N LIG 1 6.343 1.887 0.661 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 5.411 1.684 1.597 0.00 0.00 +0.225 A ATOM 34 N LIG 1 4.235 1.082 1.415 0.00 0.00 -0.219 NA BRANCH 31 35 ATOM 35 N LIG 1 7.060 1.663 -1.575 0.00 0.00 -0.309 N ATOM 36 C LIG 1 7.684 0.610 -2.337 0.00 0.00 +0.139 C ATOM 37 C LIG 1 8.905 1.531 -2.501 0.00 0.00 +0.149 C ATOM 38 C LIG 1 8.335 2.277 -1.286 0.00 0.00 +0.139 C BRANCH 37 39 ATOM 39 O LIG 1 10.211 0.928 -2.362 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 10.195 0.470 -1.504 0.00 0.00 +0.210 HD ENDBRANCH 37 39 ENDBRANCH 31 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6