REMARK Name = BDB008507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.063 0.072 -0.863 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.102 -0.163 -0.238 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 1.243 0.243 -0.820 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.242 0.850 -2.054 0.00 0.00 +0.063 A ATOM 5 C LIG 1 0.014 1.043 -2.633 0.00 0.00 +0.118 A ATOM 6 N LIG 1 -1.140 0.673 -2.058 0.00 0.00 -0.223 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -2.198 -0.370 -0.192 0.00 0.00 -0.283 N ATOM 8 H LIG 1 -1.926 -0.748 0.718 0.00 0.00 +0.155 HD BRANCH 7 10 ATOM 9 C LIG 1 -4.498 -0.897 0.469 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -3.583 -0.237 -0.389 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -4.122 0.484 -1.466 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.503 0.585 -1.667 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -6.386 -0.041 -0.796 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.887 -0.780 0.273 0.00 0.00 +0.015 A BRANCH 9 18 ATOM 15 N LIG 1 -4.763 -2.765 2.028 0.00 0.00 -0.325 N ATOM 16 H LIG 1 -5.463 -3.171 1.423 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 -4.325 -3.382 2.701 0.00 0.00 +0.145 HD ATOM 18 C LIG 1 -3.996 -1.708 1.616 0.00 0.00 +0.243 C ATOM 19 O LIG 1 -2.918 -1.476 2.152 0.00 0.00 -0.270 OA ENDBRANCH 9 18 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 N LIG 1 2.419 -0.044 -0.122 0.00 0.00 -0.299 N ATOM 21 H LIG 1 2.187 -0.602 0.707 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 3.654 0.625 0.004 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.769 -0.040 0.556 0.00 0.00 +0.080 A ATOM 24 C LIG 1 6.020 0.591 0.668 0.00 0.00 +0.017 A ATOM 25 C LIG 1 6.184 1.891 0.202 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.101 2.561 -0.360 0.00 0.00 +0.002 A ATOM 27 C LIG 1 3.853 1.935 -0.456 0.00 0.00 +0.024 A BRANCH 23 28 ATOM 28 C LIG 1 4.625 -1.420 1.071 0.00 0.00 +0.339 C ATOM 29 O LIG 1 3.716 -1.764 1.807 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 5.589 -2.251 0.621 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 6.142 -1.873 -0.089 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7