REMARK Name = BDB034796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.837 2.690 -0.397 0.00 0.00 -0.298 N ATOM 2 H LIG 1 1.705 3.056 -0.019 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 0.893 -3.485 -2.892 0.00 0.00 +0.154 C ATOM 4 N LIG 1 1.731 -2.421 -2.421 0.00 0.00 -0.295 N ATOM 5 C LIG 1 1.279 -1.180 -1.960 0.00 0.00 +0.070 A ATOM 6 C LIG 1 2.389 -0.438 -1.557 0.00 0.00 +0.072 A ATOM 7 C LIG 1 2.263 0.835 -1.035 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.970 1.375 -0.899 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.139 0.618 -1.350 0.00 0.00 +0.025 A ATOM 10 N LIG 1 3.532 -1.219 -1.783 0.00 0.00 -0.292 N ATOM 11 C LIG 1 0.003 -0.675 -1.872 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.135 -2.474 -2.301 0.00 0.00 +0.330 A ATOM 13 O LIG 1 3.866 -3.411 -2.583 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 4.887 -0.862 -1.442 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.195 -1.132 0.031 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 6.653 -0.872 0.453 0.00 0.00 +0.062 C ATOM 17 C LIG 1 7.626 -1.852 -0.208 0.00 0.00 +0.041 C ATOM 18 C LIG 1 7.085 0.573 0.194 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 6.707 -1.088 1.869 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 7.633 -1.003 2.156 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.265 3.292 0.271 0.00 0.00 +0.147 A ATOM 22 C LIG 1 -0.216 4.645 0.568 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 1.141 5.643 0.219 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 -1.325 5.167 1.186 0.00 0.00 +0.137 A ATOM 25 N LIG 1 -2.416 4.440 1.501 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -2.403 3.135 1.186 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -1.354 2.557 0.578 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 -3.501 2.356 1.520 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -3.553 1.002 0.977 0.00 0.00 +0.116 C ATOM 30 C LIG 1 -4.467 0.113 1.850 0.00 0.00 +0.036 C ATOM 31 C LIG 1 -5.745 0.841 2.320 0.00 0.00 +0.011 C ATOM 32 C LIG 1 -5.969 2.155 1.580 0.00 0.00 +0.020 C ATOM 33 C LIG 1 -4.756 3.081 1.700 0.00 0.00 +0.108 C BRANCH 30 34 ATOM 34 C LIG 1 -4.753 -1.202 1.139 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -4.097 -2.372 1.551 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -4.327 -3.586 0.899 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.211 -3.645 -0.175 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.864 -2.491 -0.600 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.636 -1.276 0.050 0.00 0.00 +0.004 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 8