REMARK Name = BDB036812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.244 0.494 -1.389 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.660 0.281 -0.378 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.445 -0.393 0.347 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.060 1.344 -2.255 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.813 1.140 -0.178 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.375 0.895 1.226 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -1.752 0.300 2.105 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -3.635 1.387 1.461 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.005 1.204 2.385 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.589 1.627 0.505 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -5.775 1.723 0.808 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.098 1.792 -0.914 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.916 0.878 -1.199 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 17 ATOM 14 C LIG 1 4.000 -2.678 -0.372 0.00 0.00 +0.172 C ATOM 15 N LIG 1 3.063 -1.775 -0.997 0.00 0.00 -0.270 N ATOM 16 C LIG 1 2.063 -1.058 -0.393 0.00 0.00 +0.054 A ATOM 17 C LIG 1 1.402 -0.382 -1.406 0.00 0.00 +0.077 A ATOM 18 C LIG 1 2.156 -0.703 -2.562 0.00 0.00 +0.147 A ATOM 19 N LIG 1 3.154 -1.555 -2.320 0.00 0.00 -0.179 NA BRANCH 16 20 ATOM 20 C LIG 1 1.784 -1.025 1.136 0.00 0.00 +0.038 C ATOM 21 C LIG 1 1.727 0.302 1.848 0.00 0.00 +0.010 C ATOM 22 C LIG 1 2.894 -0.610 2.068 0.00 0.00 +0.010 C ENDBRANCH 16 20 ENDBRANCH 1 17 TORSDOF 3