REMARK Name = BDB016736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.617 1.552 2.123 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.344 2.118 0.863 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.122 1.826 0.245 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.144 1.032 0.829 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.077 0.995 -0.125 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.397 1.688 -1.231 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.401 0.485 2.099 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.612 2.191 -0.968 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.052 2.773 -1.671 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.627 0.759 2.725 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.072 -0.903 -0.936 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.654 -0.408 0.305 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.412 0.576 0.929 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.255 1.331 2.220 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.941 1.812 2.807 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.471 2.227 2.270 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.196 1.994 1.115 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -9.062 2.468 0.910 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.737 3.005 3.171 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.712 0.680 3.458 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.590 1.024 0.313 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.042 0.546 -0.897 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.263 -0.429 -1.522 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.124 -2.236 -1.218 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.415 -1.848 -1.677 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.213 0.312 -0.022 0.00 0.00 +0.003 A ATOM 27 C LIG 1 1.734 -0.370 -1.133 0.00 0.00 +0.011 A ATOM 28 C LIG 1 2.963 -1.031 -1.051 0.00 0.00 +0.014 A ATOM 29 C LIG 1 3.691 -0.993 0.142 0.00 0.00 +0.037 A ATOM 30 C LIG 1 3.176 -0.328 1.259 0.00 0.00 +0.014 A ATOM 31 C LIG 1 1.947 0.331 1.173 0.00 0.00 +0.011 A BRANCH 29 32 ATOM 32 C LIG 1 4.987 -1.698 0.267 0.00 0.00 +0.247 C ATOM 33 N LIG 1 5.985 -1.444 -0.666 0.00 0.00 -0.295 N ATOM 34 C LIG 1 7.224 -2.216 -0.581 0.00 0.00 +0.123 C ATOM 35 C LIG 1 8.018 -2.191 -1.899 0.00 0.00 +0.103 C ATOM 36 N LIG 1 8.314 -0.844 -2.433 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 9.721 -0.490 -2.268 0.00 0.00 +0.105 C ATOM 38 C LIG 1 7.443 0.196 -1.849 0.00 0.00 +0.103 C ATOM 39 C LIG 1 6.007 -0.294 -1.580 0.00 0.00 +0.123 C ATOM 40 O LIG 1 5.123 -2.482 1.204 0.00 0.00 -0.270 OA ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4