REMARK Name = BDB040887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.302 -0.373 1.826 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.482 0.216 1.338 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.535 1.427 0.675 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.895 1.798 0.669 0.00 0.00 +0.066 A ATOM 5 N LIG 1 -3.649 0.859 1.249 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 -3.510 3.049 0.164 0.00 0.00 +0.068 C ATOM 7 C LIG 1 -0.316 2.141 0.219 0.00 0.00 +0.083 C ATOM 8 C LIG 1 0.812 1.856 1.233 0.00 0.00 +0.172 C ATOM 9 N LIG 1 -2.812 -0.208 1.393 0.00 0.00 -0.218 N ATOM 10 C LIG 1 0.895 0.386 1.747 0.00 0.00 +0.242 C ATOM 11 O LIG 1 1.948 -0.041 2.232 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -0.153 1.717 -1.234 0.00 0.00 -0.037 A ATOM 13 C LIG 1 -0.324 2.686 -2.244 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.231 2.344 -3.595 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.032 1.029 -3.951 0.00 0.00 +0.123 A ATOM 16 F LIG 1 0.125 0.701 -5.247 0.00 0.00 -0.205 F ATOM 17 C LIG 1 0.211 0.052 -2.982 0.00 0.00 +0.038 A ATOM 18 C LIG 1 0.125 0.394 -1.630 0.00 0.00 +0.007 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 -3.379 -1.509 1.415 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -2.709 -2.590 0.828 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -3.297 -3.857 0.828 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -4.557 -4.031 1.390 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -5.117 -5.247 1.384 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -5.250 -2.959 1.940 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -4.668 -1.690 1.941 0.00 0.00 +0.030 A ENDBRANCH 9 19 BRANCH 8 26 ATOM 26 N LIG 1 2.067 2.613 1.007 0.00 0.00 -0.299 N ATOM 27 H LIG 1 2.004 3.553 1.378 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 2.762 2.704 -0.176 0.00 0.00 +0.245 C ATOM 29 O LIG 1 2.998 3.823 -0.628 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 3.275 1.501 -0.867 0.00 0.00 +0.037 A ATOM 31 C LIG 1 3.763 0.402 -0.159 0.00 0.00 +0.016 A ATOM 32 C LIG 1 4.258 -0.721 -0.838 0.00 0.00 -0.050 A ATOM 33 C LIG 1 4.786 -1.900 -0.075 0.00 0.00 +0.044 C ATOM 34 C LIG 1 4.312 -0.704 -2.237 0.00 0.00 +0.003 A ATOM 35 C LIG 1 3.878 0.415 -2.947 0.00 0.00 +0.001 A ATOM 36 C LIG 1 3.370 1.520 -2.263 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 8 26 BRANCH 1 38 ATOM 37 C LIG 1 0.548 -2.715 2.090 0.00 0.00 +0.025 C ATOM 38 C LIG 1 -0.245 -1.559 2.688 0.00 0.00 +0.112 C ENDBRANCH 1 38 TORSDOF 5