REMARK Name = BDB005464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.905 0.299 -0.927 0.00 0.00 +0.146 A ATOM 2 N LIG 1 -1.193 -0.004 0.239 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.108 0.264 -0.063 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.444 0.191 0.558 0.00 0.00 +0.162 C ATOM 5 N LIG 1 2.258 0.754 -0.553 0.00 0.00 -0.237 N ATOM 6 C LIG 1 1.495 1.056 -1.715 0.00 0.00 +0.273 C ATOM 7 O LIG 1 1.829 1.506 -2.797 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.140 0.727 -1.337 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.095 0.747 -1.885 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.295 1.175 -0.726 0.00 0.00 +0.147 A ATOM 11 C LIG 1 -3.317 0.135 -1.021 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -3.752 -1.030 -1.536 0.00 0.00 +0.085 A ATOM 13 C LIG 1 -5.202 -1.304 -1.710 0.00 0.00 +0.252 A ATOM 14 O LIG 1 -5.552 -2.399 -2.140 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -6.068 -0.277 -1.345 0.00 0.00 -0.315 N ATOM 16 C LIG 1 -7.503 -0.467 -1.486 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.606 0.935 -0.865 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 -3.589 3.312 -1.248 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.821 2.361 -0.205 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 3.643 1.029 -0.450 0.00 0.00 +0.132 A ATOM 21 N LIG 1 4.279 1.480 -1.541 0.00 0.00 -0.217 NA ATOM 22 C LIG 1 5.594 1.734 -1.461 0.00 0.00 +0.128 A ATOM 23 C LIG 1 6.274 2.262 -2.684 0.00 0.00 +0.088 C ATOM 24 N LIG 1 6.328 1.587 -0.347 0.00 0.00 -0.237 NA ATOM 25 C LIG 1 5.683 1.139 0.742 0.00 0.00 +0.044 A ATOM 26 C LIG 1 6.489 0.961 1.994 0.00 0.00 +0.066 C ATOM 27 C LIG 1 4.330 0.849 0.737 0.00 0.00 +0.067 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 1.822 -1.231 0.943 0.00 0.00 -0.021 A ATOM 29 C LIG 1 1.902 -1.589 2.301 0.00 0.00 +0.007 A ATOM 30 C LIG 1 2.231 -2.894 2.677 0.00 0.00 +0.020 A ATOM 31 C LIG 1 2.481 -3.855 1.700 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 2.884 -5.461 2.167 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 2.404 -3.523 0.351 0.00 0.00 +0.020 A ATOM 34 C LIG 1 2.074 -2.219 -0.026 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 -1.649 -0.536 1.520 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -2.036 -2.012 1.441 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -2.722 0.300 2.215 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5