REMARK Name = BDB038679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.150 -0.187 -0.594 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.383 -0.009 -1.907 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.572 -0.360 -2.450 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.592 -0.876 -1.655 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.387 -1.064 -0.286 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.126 -0.738 0.229 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.287 1.871 1.014 0.00 0.00 -0.021 A ATOM 8 C LIG 1 3.446 1.642 -0.085 0.00 0.00 +0.019 A ATOM 9 C LIG 1 2.200 1.092 0.159 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.142 0.751 -0.802 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.088 0.222 -0.059 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.383 0.199 1.365 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.284 0.941 -1.996 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.758 0.771 1.437 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.567 0.998 2.535 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.834 1.552 2.316 0.00 0.00 +0.006 A BRANCH 7 17 ATOM 17 C LIG 1 5.654 2.481 0.810 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 O LIG 1 6.662 1.761 1.520 0.00 0.00 -0.374 OA BRANCH 18 19 ATOM 19 C LIG 1 7.097 0.568 0.857 0.00 0.00 +0.175 C BRANCH 19 20 ATOM 20 C LIG 1 8.175 0.879 -0.195 0.00 0.00 +0.108 C BRANCH 20 22 ATOM 21 C LIG 1 7.841 -0.974 -1.732 0.00 0.00 +0.101 C ATOM 22 N LIG 1 8.767 -0.307 -0.825 0.00 0.00 -0.317 NA ATOM 23 H LIG 1 9.588 -0.016 -1.356 0.00 0.00 +0.122 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -4.467 -1.572 0.588 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.871 -0.911 1.777 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.874 -1.467 2.590 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -6.506 -2.660 2.229 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -6.129 -3.309 1.054 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -5.120 -2.773 0.248 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -4.253 0.335 2.227 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.393 1.573 1.648 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.215 1.943 0.528 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -3.590 2.417 2.352 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -2.997 1.756 3.318 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -3.426 0.451 3.250 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -7.534 -3.212 3.061 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.375 -3.657 3.725 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -2.780 -0.148 -3.930 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -1.676 -0.495 -4.902 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.914 -1.338 -4.853 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 10