REMARK Name = BDB006430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.508 -4.633 -1.881 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.839 -3.730 -0.743 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.090 -2.978 0.042 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.639 -2.268 0.998 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.010 -1.427 1.934 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.383 -1.305 1.892 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.132 -1.994 0.937 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.975 -2.576 0.800 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.495 -2.842 0.020 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.108 -3.467 -0.248 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.426 -3.990 -0.709 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.616 -1.878 0.867 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.154 -0.683 1.290 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.543 0.104 1.465 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.289 -2.798 0.417 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.582 -0.409 1.203 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -6.320 -1.102 2.357 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.793 1.102 1.100 0.00 0.00 -0.020 A ATOM 19 C LIG 1 -5.567 1.790 -0.137 0.00 0.00 -0.013 A ATOM 20 C LIG 1 -5.761 3.196 -0.187 0.00 0.00 -0.018 A ATOM 21 C LIG 1 -5.554 3.899 -1.385 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -5.150 3.241 -2.545 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.946 1.870 -2.518 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -6.154 3.891 0.963 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -6.350 3.225 2.167 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.151 1.157 -1.334 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -6.166 1.847 2.236 0.00 0.00 +0.006 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.076 -2.071 1.624 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.892 -1.000 0.939 0.00 0.00 -0.028 A ATOM 30 C LIG 1 5.292 -1.071 0.961 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.068 -0.076 0.358 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.472 1.025 -0.275 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.071 1.098 -0.281 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.292 0.104 0.320 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.291 2.071 -0.909 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.123 3.425 -0.574 0.00 0.00 +0.008 A ATOM 37 C LIG 1 6.901 4.419 -1.175 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.859 4.075 -2.125 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.041 2.739 -2.473 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.264 1.746 -1.870 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 6