REMARK Name = BDB007192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.269 0.814 1.234 0.00 0.00 +0.030 A ATOM 2 C LIG 1 3.000 0.296 0.939 0.00 0.00 +0.029 A ATOM 3 C LIG 1 1.810 0.858 1.451 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.461 0.284 1.046 0.00 0.00 +0.142 C ATOM 5 N LIG 1 -0.726 0.886 1.704 0.00 0.00 -0.260 N ATOM 6 C LIG 1 -0.645 1.948 2.604 0.00 0.00 +0.225 C ATOM 7 C LIG 1 0.691 2.591 2.882 0.00 0.00 +0.131 C ATOM 8 O LIG 1 -1.616 2.412 3.215 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 1.907 1.949 2.306 0.00 0.00 -0.033 A ATOM 10 C LIG 1 3.169 2.474 2.622 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.332 1.916 2.090 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 0.311 0.300 -0.486 0.00 0.00 -0.022 A ATOM 13 C LIG 1 0.178 1.513 -1.189 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.052 1.515 -2.582 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.058 0.309 -3.282 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.087 0.312 -4.998 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.188 -0.902 -2.603 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.318 -0.907 -1.211 0.00 0.00 +0.007 A ENDBRANCH 4 12 BRANCH 5 19 ATOM 19 C LIG 1 -2.021 0.321 1.399 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -3.138 1.148 1.237 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -4.390 0.618 0.902 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -4.588 -0.757 0.726 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -3.467 -1.580 0.883 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -2.205 -1.051 1.205 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 -5.869 -1.232 0.397 0.00 0.00 -0.329 N ATOM 26 C LIG 1 -6.857 -0.942 1.448 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 -5.981 -2.559 -0.221 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 -7.194 -2.630 -1.123 0.00 0.00 -0.027 A ATOM 29 C LIG 1 -8.188 -3.591 -0.930 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -9.267 -3.613 -1.802 0.00 0.00 +0.111 A ATOM 31 N LIG 1 -9.420 -2.761 -2.837 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 -8.445 -1.844 -3.010 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -7.331 -1.740 -2.193 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 5 19 BRANCH 1 34 ATOM 34 N LIG 1 5.397 0.240 0.625 0.00 0.00 -0.326 N BRANCH 34 35 ATOM 35 C LIG 1 6.005 -0.923 1.339 0.00 0.00 +0.067 C ATOM 36 C LIG 1 5.091 -2.149 1.335 0.00 0.00 +0.027 C ATOM 37 C LIG 1 6.475 -0.588 2.755 0.00 0.00 +0.027 C ENDBRANCH 34 35 BRANCH 34 38 ATOM 38 C LIG 1 6.402 1.200 0.079 0.00 0.00 +0.124 C BRANCH 38 39 ATOM 39 C LIG 1 5.818 2.140 -0.989 0.00 0.00 +0.123 C BRANCH 39 42 ATOM 40 C LIG 1 3.706 1.220 -3.987 0.00 0.00 +0.109 C ATOM 41 C LIG 1 4.613 2.055 -3.126 0.00 0.00 +0.210 C ATOM 42 N LIG 1 5.071 1.414 -2.000 0.00 0.00 -0.314 N ATOM 43 H LIG 1 4.556 0.614 -1.647 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 4.944 3.195 -3.439 0.00 0.00 -0.276 OA ENDBRANCH 39 42 ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 10