REMARK Name = BDB005379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.986 -0.755 -0.877 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.145 0.213 -0.291 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.101 -0.351 -0.278 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -1.517 -0.083 0.183 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -2.168 -1.345 -0.398 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.256 -2.204 -1.053 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.467 -3.266 -1.617 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -1.536 -0.236 1.720 0.00 0.00 +0.044 C ATOM 9 C LIG 1 0.016 -1.537 -0.943 0.00 0.00 +0.150 A ATOM 10 N LIG 1 1.283 -1.783 -1.336 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.487 -1.752 -0.036 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -3.763 -3.001 0.567 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -2.710 -4.007 0.954 0.00 0.00 +0.045 C ATOM 14 C LIG 1 -5.099 -3.346 0.861 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.144 -2.461 0.609 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -5.865 -1.224 0.049 0.00 0.00 +0.043 A ATOM 17 CL LIG 1 -7.146 -0.118 -0.264 0.00 0.00 -0.083 Cl ATOM 18 C LIG 1 -4.554 -0.872 -0.273 0.00 0.00 +0.043 A ENDBRANCH 5 11 BRANCH 4 19 ATOM 19 C LIG 1 -2.091 1.189 -0.486 0.00 0.00 -0.015 A ATOM 20 C LIG 1 -2.751 2.267 0.160 0.00 0.00 -0.043 A ATOM 21 C LIG 1 -3.057 2.342 1.631 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -3.215 3.361 -0.612 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -3.063 3.401 -1.994 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.644 4.750 -2.886 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.454 2.348 -2.649 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.982 1.263 -1.907 0.00 0.00 +0.008 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 6.114 -0.528 -1.416 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.672 -0.445 -0.152 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.335 -0.533 0.011 0.00 0.00 +0.231 A ATOM 30 C LIG 1 3.433 -0.661 -1.032 0.00 0.00 +0.097 A ATOM 31 C LIG 1 4.015 -0.761 -2.278 0.00 0.00 +0.133 A ATOM 32 N LIG 1 5.343 -0.679 -2.500 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.260 -0.384 -0.506 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.463 -0.438 -1.680 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 3.821 -0.463 1.296 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 4.819 -0.513 2.311 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 1.575 1.561 0.076 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.206 2.604 -0.979 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.160 2.005 1.473 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6