REMARK Name = BDB011360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.074 -0.597 -0.994 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.202 -0.166 0.028 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.038 -0.009 -0.542 0.00 0.00 +0.060 A ATOM 4 C LIG 1 1.427 0.472 -0.177 0.00 0.00 +0.106 C ATOM 5 N LIG 1 2.165 0.126 -1.489 0.00 0.00 -0.251 N ATOM 6 C LIG 1 1.254 -0.327 -2.484 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.434 -0.620 -3.653 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.385 2.017 -0.060 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -0.025 -0.413 -1.845 0.00 0.00 +0.061 A ATOM 10 C LIG 1 -1.329 -0.782 -2.152 0.00 0.00 +0.041 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 3.553 0.288 -1.692 0.00 0.00 +0.056 A ATOM 12 C LIG 1 4.393 0.779 -0.757 0.00 0.00 +0.112 A ATOM 13 N LIG 1 5.758 0.937 -0.952 0.00 0.00 -0.315 N ATOM 14 C LIG 1 6.556 1.474 0.142 0.00 0.00 +0.152 C ATOM 15 C LIG 1 6.391 0.600 -2.149 0.00 0.00 +0.270 A ATOM 16 O LIG 1 7.595 0.743 -2.347 0.00 0.00 -0.266 OA ATOM 17 C LIG 1 5.486 0.037 -3.193 0.00 0.00 +0.107 A ATOM 18 CL LIG 1 6.177 -0.441 -4.698 0.00 0.00 -0.078 Cl ATOM 19 C LIG 1 4.173 -0.100 -2.955 0.00 0.00 +0.050 A ENDBRANCH 5 11 BRANCH 4 20 ATOM 20 C LIG 1 2.005 -0.308 1.011 0.00 0.00 -0.018 A ATOM 21 C LIG 1 2.362 0.315 2.222 0.00 0.00 +0.007 A ATOM 22 C LIG 1 2.910 -0.420 3.278 0.00 0.00 +0.020 A ATOM 23 C LIG 1 3.113 -1.790 3.142 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 3.787 -2.689 4.443 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 2.772 -2.433 1.958 0.00 0.00 +0.020 A ATOM 26 C LIG 1 2.222 -1.699 0.903 0.00 0.00 +0.007 A ENDBRANCH 4 20 BRANCH 1 30 ATOM 27 C LIG 1 -6.164 -1.336 -0.593 0.00 0.00 +0.321 A ATOM 28 N LIG 1 -5.776 -0.054 -0.511 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 -4.454 0.170 -0.649 0.00 0.00 +0.230 A ATOM 30 C LIG 1 -3.511 -0.831 -0.841 0.00 0.00 +0.078 A ATOM 31 C LIG 1 -4.040 -2.103 -0.913 0.00 0.00 +0.131 A ATOM 32 N LIG 1 -5.353 -2.384 -0.785 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 -8.338 -0.525 -0.322 0.00 0.00 +0.280 C ATOM 34 O LIG 1 -7.496 -1.661 -0.460 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 -3.988 1.472 -0.564 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 -5.026 2.444 -0.495 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 -1.623 -0.039 1.427 0.00 0.00 +0.081 C ATOM 38 C LIG 1 -1.213 -1.241 2.276 0.00 0.00 +0.030 C ATOM 39 C LIG 1 -1.283 1.287 2.094 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6