REMARK Name = BDB057608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.326 1.368 -1.118 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.833 2.113 -1.022 0.00 0.00 +0.100 A ATOM 3 C LIG 1 -0.762 2.992 -2.150 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -1.677 4.094 -2.545 0.00 0.00 +0.068 C ATOM 5 N LIG 1 0.320 2.757 -2.909 0.00 0.00 -0.177 NA ATOM 6 N LIG 1 0.961 1.777 -2.251 0.00 0.00 -0.262 N ATOM 7 H LIG 1 1.842 1.419 -2.601 0.00 0.00 +0.190 HD ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -1.802 1.964 0.052 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -3.062 2.466 -0.201 0.00 0.00 -0.311 N ATOM 10 H LIG 1 -3.309 2.708 -1.148 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.525 1.379 1.098 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -4.148 2.302 0.752 0.00 0.00 +0.110 C BRANCH 12 13 ATOM 13 C LIG 1 -4.769 0.902 0.693 0.00 0.00 +0.075 C BRANCH 13 14 ATOM 14 C LIG 1 -5.875 0.716 1.673 0.00 0.00 +0.060 A ATOM 15 N LIG 1 -6.706 1.754 2.025 0.00 0.00 -0.241 NA ATOM 16 C LIG 1 -7.551 1.253 2.894 0.00 0.00 +0.196 A ATOM 17 N LIG 1 -7.313 -0.071 3.116 0.00 0.00 -0.351 N ATOM 18 H LIG 1 -7.843 -0.675 3.731 0.00 0.00 +0.166 HD ATOM 19 C LIG 1 -6.252 -0.434 2.334 0.00 0.00 +0.107 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 2 8 BRANCH 1 20 ATOM 20 N LIG 1 0.850 0.404 -0.329 0.00 0.00 -0.221 N ATOM 21 H LIG 1 0.350 0.195 0.547 0.00 0.00 +0.176 HD BRANCH 20 23 ATOM 22 C LIG 1 2.428 -1.056 0.288 0.00 0.00 +0.138 C ATOM 23 N LIG 1 2.051 -0.177 -0.589 0.00 0.00 -0.189 NA BRANCH 22 27 ATOM 24 C LIG 1 6.160 -3.125 0.009 0.00 0.00 +0.120 A ATOM 25 C LIG 1 5.767 -2.260 -1.015 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.547 -1.581 -0.931 0.00 0.00 +0.013 A ATOM 27 C LIG 1 3.714 -1.772 0.173 0.00 0.00 -0.005 A ATOM 28 C LIG 1 4.093 -2.646 1.192 0.00 0.00 +0.013 A ATOM 29 C LIG 1 5.316 -3.314 1.107 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 8.217 -3.688 -1.043 0.00 0.00 +0.277 C ATOM 31 O LIG 1 7.327 -3.836 0.057 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 22 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 8