REMARK Name = BDB024185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.513 -0.818 0.059 0.00 0.00 -0.269 N ATOM 2 H LIG 1 1.024 -0.822 0.933 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.250 -1.215 -1.043 0.00 0.00 +0.240 C ATOM 4 O LIG 1 0.871 -1.287 -2.209 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.481 0.470 0.177 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.818 0.066 -0.988 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.528 -0.350 -1.070 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 -0.818 -0.404 0.063 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -1.372 -0.046 1.284 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.704 0.385 1.335 0.00 0.00 +0.028 A BRANCH 5 16 ATOM 11 C LIG 1 -8.738 2.707 0.249 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -7.354 2.270 0.268 0.00 0.00 -0.302 N ATOM 13 C LIG 1 -6.585 2.444 -0.880 0.00 0.00 +0.233 C ATOM 14 O LIG 1 -6.997 3.096 -1.844 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -5.156 1.862 -0.906 0.00 0.00 +0.201 C ATOM 16 N LIG 1 -4.821 0.886 0.169 0.00 0.00 -0.318 N ATOM 17 C LIG 1 -5.494 1.133 1.447 0.00 0.00 +0.124 C ATOM 18 C LIG 1 -7.002 1.220 1.212 0.00 0.00 +0.126 C ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 2.708 -1.599 -0.655 0.00 0.00 +0.171 C BRANCH 19 20 ATOM 20 C LIG 1 2.807 -3.098 -0.417 0.00 0.00 -0.022 A ATOM 21 C LIG 1 3.197 -3.939 -1.472 0.00 0.00 +0.005 A ATOM 22 C LIG 1 3.277 -5.321 -1.290 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.962 -5.882 -0.055 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.561 -5.063 0.998 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.479 -3.681 0.818 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 3.138 -0.770 0.516 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 2.964 0.208 0.261 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.580 -0.888 0.804 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 5.532 -0.269 -0.237 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.287 1.202 -0.482 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.658 1.634 -1.658 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.411 2.992 -1.871 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.795 3.925 -0.911 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 4.491 5.598 -1.173 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 5.425 3.512 0.260 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.670 2.154 0.475 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 3 19 TORSDOF 8