REMARK Name = BDB064133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.402 1.025 -1.232 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.867 0.995 -1.181 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.501 -0.009 -0.489 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.850 -0.919 0.042 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.449 1.925 -2.140 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -1.314 2.172 -3.135 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.060 2.096 -2.274 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.503 1.098 0.384 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.794 1.347 1.323 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.200 1.427 0.128 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.412 2.109 0.952 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.272 0.086 -0.305 0.00 0.00 +0.139 C BRANCH 12 15 ATOM 13 C LIG 1 4.393 2.044 -1.147 0.00 0.00 +0.044 C ATOM 14 C LIG 1 4.675 0.945 -0.157 0.00 0.00 -0.045 A ATOM 15 C LIG 1 3.681 0.021 0.228 0.00 0.00 -0.027 A ATOM 16 C LIG 1 4.001 -0.971 1.170 0.00 0.00 +0.006 A ATOM 17 C LIG 1 5.285 -1.062 1.710 0.00 0.00 +0.009 A ATOM 18 C LIG 1 6.280 -0.160 1.326 0.00 0.00 -0.009 A ATOM 19 C LIG 1 5.964 0.840 0.395 0.00 0.00 +0.012 A BRANCH 18 20 ATOM 20 C LIG 1 7.620 -0.253 1.905 0.00 0.00 +0.042 A ATOM 21 C LIG 1 8.034 -0.182 3.229 0.00 0.00 +0.053 A ATOM 22 C LIG 1 7.178 0.046 4.424 0.00 0.00 +0.067 C ATOM 23 N LIG 1 9.400 -0.340 3.427 0.00 0.00 -0.252 NA ATOM 24 C LIG 1 9.995 -0.522 2.270 0.00 0.00 +0.156 A ATOM 25 S LIG 1 8.984 -0.517 0.890 0.00 0.00 -0.075 S ENDBRANCH 18 20 ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 -1.263 1.149 -4.129 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -1.557 0.309 -3.729 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -4.045 0.019 -0.358 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -4.551 0.691 0.956 0.00 0.00 -0.011 C ATOM 30 C LIG 1 -4.225 2.196 0.948 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -6.088 0.549 1.043 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -3.937 0.065 2.222 0.00 0.00 +0.013 C ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 N LIG 1 -4.447 -1.390 -0.452 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -4.048 -1.998 0.256 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 -4.668 -1.958 -1.688 0.00 0.00 +0.234 C ATOM 36 O LIG 1 -4.781 -1.318 -2.726 0.00 0.00 -0.274 OA BRANCH 35 37 ATOM 37 C LIG 1 -4.745 -3.449 -1.702 0.00 0.00 +0.133 C ATOM 38 C LIG 1 -6.069 -4.083 -2.107 0.00 0.00 +0.033 C ATOM 39 C LIG 1 -5.616 -4.170 -0.682 0.00 0.00 +0.033 C BRANCH 37 40 ATOM 40 C LIG 1 -3.540 -4.106 -2.144 0.00 0.00 +0.079 C ATOM 41 N LIG 1 -2.579 -4.660 -2.485 0.00 0.00 -0.195 NA ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 28 33 ENDBRANCH 3 28 TORSDOF 10