REMARK Name = BDB006652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.408 0.909 -0.157 0.00 0.00 -0.220 N ATOM 2 C LIG 1 1.091 0.570 -0.195 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.262 -0.585 -0.205 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.073 -0.079 -0.296 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.091 1.417 -0.229 0.00 0.00 +0.146 C ATOM 6 O LIG 1 0.628 -1.743 -0.096 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.353 1.715 -0.147 0.00 0.00 +0.031 A ATOM 8 C LIG 1 1.272 2.749 0.020 0.00 0.00 +0.066 A ATOM 9 C LIG 1 1.025 4.202 0.180 0.00 0.00 +0.068 C ATOM 10 N LIG 1 2.522 2.258 0.088 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.227 -0.855 -0.440 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.223 -2.203 -0.442 0.00 0.00 +0.112 A ATOM 13 N LIG 1 -3.376 -2.962 -0.582 0.00 0.00 -0.316 N ATOM 14 C LIG 1 -3.250 -4.412 -0.556 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -4.636 -2.393 -0.729 0.00 0.00 +0.254 A ATOM 16 O LIG 1 -5.678 -3.032 -0.844 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 -4.668 -0.899 -0.747 0.00 0.00 +0.016 A ATOM 18 C LIG 1 -6.010 -0.260 -0.922 0.00 0.00 +0.049 C ATOM 19 C LIG 1 -3.523 -0.209 -0.614 0.00 0.00 +0.033 A ENDBRANCH 4 11 BRANCH 5 20 ATOM 20 C LIG 1 -1.706 2.007 1.027 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -2.407 3.224 0.943 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -2.982 3.800 2.079 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.863 3.166 3.313 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.571 3.876 4.710 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.173 1.962 3.421 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.597 1.386 2.285 0.00 0.00 +0.007 A ENDBRANCH 5 20 BRANCH 1 30 ATOM 27 C LIG 1 5.855 -1.285 -0.520 0.00 0.00 +0.321 A ATOM 28 N LIG 1 4.783 -1.739 -1.181 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 3.653 -1.011 -1.070 0.00 0.00 +0.247 A ATOM 30 C LIG 1 3.569 0.136 -0.311 0.00 0.00 +0.146 A ATOM 31 C LIG 1 4.746 0.539 0.285 0.00 0.00 +0.149 A ATOM 32 N LIG 1 5.898 -0.159 0.208 0.00 0.00 -0.201 NA BRANCH 27 34 ATOM 33 C LIG 1 8.100 -1.552 0.059 0.00 0.00 +0.280 C ATOM 34 O LIG 1 6.982 -2.066 -0.650 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 2.606 -1.328 -1.910 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 2.678 -2.657 -2.421 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 TORSDOF 5