REMARK Name = BDB031698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.351 -2.008 1.366 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.043 -2.111 -0.004 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.140 -1.528 -0.473 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.041 -0.866 0.348 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.093 -0.431 -0.520 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.852 -0.802 -1.783 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.752 -0.780 1.723 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.681 -1.450 -1.724 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.298 -1.822 -2.584 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.434 -1.355 2.207 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.232 1.014 -0.736 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.701 0.189 0.267 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.288 -1.042 0.521 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.995 -2.147 1.496 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.618 -2.624 1.913 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.086 -3.161 1.239 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.867 -2.666 0.210 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.671 -3.157 -0.147 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.229 -4.213 1.839 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.498 -1.862 2.884 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.416 -1.417 -0.223 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.968 -0.632 -1.213 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.359 0.600 -1.470 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.021 3.062 -1.931 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.565 2.198 -0.899 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.161 0.257 -0.050 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -3.196 0.465 0.944 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.296 0.793 -0.684 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -5.252 1.452 0.087 0.00 0.00 +0.145 A ATOM 30 O LIG 1 -5.146 1.625 1.452 0.00 0.00 -0.490 OA ATOM 31 C LIG 1 -6.465 2.077 1.838 0.00 0.00 +0.234 C ATOM 32 C LIG 1 -7.157 2.700 0.625 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -6.401 2.019 -0.447 0.00 0.00 -0.001 A ATOM 34 C LIG 1 -6.656 1.951 -1.802 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -5.730 1.285 -2.607 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.565 0.715 -2.054 0.00 0.00 +0.027 A ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4