REMARK Name = BDB006386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.551 -1.504 -1.119 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.981 -1.896 0.102 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.587 -2.117 0.188 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.282 -2.507 1.253 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.568 -2.572 0.736 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.504 -2.219 -0.599 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.843 -2.924 1.424 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.112 -2.793 2.661 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.194 -1.949 -0.958 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.370 -1.570 -2.190 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.750 -1.357 -2.251 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.655 -0.789 -0.128 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.107 -0.488 0.666 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -4.013 -1.259 -1.252 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.572 -1.449 -2.327 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -6.070 -0.450 -0.125 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -6.249 0.868 0.618 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -6.318 2.064 -0.115 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.450 3.294 0.532 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.505 3.347 1.923 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.422 2.172 2.666 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.289 0.941 2.020 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -6.976 -2.822 -0.434 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -6.921 -1.593 0.465 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 2.641 -2.185 -1.520 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.537 -0.984 -1.317 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.019 0.315 -1.230 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.868 1.415 -1.068 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.258 1.249 -0.998 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.775 -0.051 -1.110 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.927 -1.152 -1.270 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.155 2.404 -0.817 0.00 0.00 -0.004 A ATOM 33 C LIG 1 6.091 3.277 0.290 0.00 0.00 +0.067 A ATOM 34 C LIG 1 6.939 4.394 0.375 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.879 4.643 -0.623 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.971 3.784 -1.712 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.117 2.681 -1.810 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 5.144 3.102 1.417 0.00 0.00 +0.337 C ATOM 39 O LIG 1 4.455 4.013 1.842 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 5.196 1.879 1.984 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 5.790 1.249 1.535 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9