REMARK Name = BDB005367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.682 0.956 0.215 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.885 -0.182 0.005 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.350 0.295 -0.311 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.694 -0.180 -0.710 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.357 1.143 -0.981 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.517 2.248 -0.668 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.744 3.444 -0.736 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.266 1.651 -0.272 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.963 2.070 0.097 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.665 1.248 -1.545 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -4.350 2.467 -1.627 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -5.626 2.524 -2.190 0.00 0.00 +0.104 A ATOM 13 CL LIG 1 -6.468 4.022 -2.279 0.00 0.00 -0.078 Cl ATOM 14 C LIG 1 -6.193 1.351 -2.667 0.00 0.00 +0.231 A ATOM 15 N LIG 1 -5.580 0.158 -2.618 0.00 0.00 -0.218 NA ATOM 16 C LIG 1 -4.343 0.138 -2.061 0.00 0.00 +0.138 A BRANCH 14 17 ATOM 17 O LIG 1 -7.437 1.328 -3.232 0.00 0.00 -0.491 OA ATOM 18 H LIG 1 -7.770 2.241 -3.208 0.00 0.00 +0.294 HD ENDBRANCH 14 17 ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.406 -0.965 0.381 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.807 -2.292 0.145 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.466 -3.026 1.135 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.730 -2.444 2.372 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.535 -3.351 3.591 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.344 -1.131 2.626 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.687 -0.395 1.637 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.716 1.054 1.260 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.415 0.465 0.097 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.110 0.453 -0.241 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.099 0.963 0.555 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.539 1.565 1.716 0.00 0.00 +0.133 A ATOM 31 N LIG 1 4.831 1.611 2.102 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 7.352 1.761 2.767 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.056 1.044 1.576 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.745 -0.126 -1.447 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.857 -0.460 -2.273 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.313 -1.570 0.148 0.00 0.00 +0.083 C ATOM 37 C LIG 1 0.848 -2.184 1.468 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.944 -2.438 -1.054 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7