REMARK Name = BDB060771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.378 -0.445 -0.258 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.883 -1.169 0.232 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -2.846 -1.030 -0.524 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.991 -1.937 0.118 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -0.606 -1.728 0.196 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.004 -0.603 -0.376 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.842 0.292 -1.036 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.230 0.078 -1.115 0.00 0.00 +0.025 A BRANCH 3 14 ATOM 9 C LIG 1 -8.568 0.887 -0.474 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -7.689 0.225 0.556 0.00 0.00 +0.213 C ATOM 11 N LIG 1 -6.319 0.408 0.429 0.00 0.00 -0.299 N ATOM 12 C LIG 1 -5.437 -0.309 1.359 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -4.896 -1.598 0.704 0.00 0.00 +0.124 C ATOM 14 N LIG 1 -4.218 -1.282 -0.587 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -5.083 -0.512 -1.512 0.00 0.00 +0.124 C ATOM 16 C LIG 1 -5.656 0.755 -0.836 0.00 0.00 +0.126 C ATOM 17 O LIG 1 -8.190 -0.437 1.465 0.00 0.00 -0.276 OA ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 2.288 0.510 -0.700 0.00 0.00 +0.220 A ATOM 19 N LIG 1 3.562 0.267 -0.359 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 4.502 1.147 -0.763 0.00 0.00 +0.078 A ATOM 21 C LIG 1 4.199 2.272 -1.496 0.00 0.00 +0.048 A ATOM 22 C LIG 1 2.872 2.441 -1.792 0.00 0.00 +0.116 A ATOM 23 N LIG 1 1.911 1.582 -1.410 0.00 0.00 -0.223 NA BRANCH 20 24 ATOM 24 C LIG 1 5.873 0.836 -0.372 0.00 0.00 +0.026 A ATOM 25 C LIG 1 6.355 0.160 0.798 0.00 0.00 +0.009 A ATOM 26 C LIG 1 7.747 0.095 0.701 0.00 0.00 +0.047 A ATOM 27 C LIG 1 8.551 -0.499 1.681 0.00 0.00 +0.026 A ATOM 28 C LIG 1 7.915 -1.043 2.801 0.00 0.00 +0.002 A ATOM 29 C LIG 1 6.530 -0.993 2.932 0.00 0.00 +0.001 A ATOM 30 N LIG 1 8.098 0.697 -0.484 0.00 0.00 -0.360 N ATOM 31 H LIG 1 9.047 0.784 -0.820 0.00 0.00 +0.165 HD ATOM 32 C LIG 1 5.742 -0.396 1.942 0.00 0.00 +0.010 A ATOM 33 C LIG 1 6.982 1.148 -1.139 0.00 0.00 +0.093 A ENDBRANCH 20 24 ENDBRANCH 1 18 TORSDOF 4