REMARK Name = BDB038350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.735 -1.526 -1.773 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -2.394 -1.476 -1.671 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.856 -1.110 -0.488 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -2.627 -0.786 0.616 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -4.015 -0.878 0.517 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -4.571 -1.274 -0.696 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.874 -0.556 1.658 0.00 0.00 +0.079 A ATOM 8 N LIG 1 -4.806 -1.203 2.875 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -3.946 -2.307 3.244 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -5.679 -0.734 3.790 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -6.333 0.225 3.135 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -5.890 0.380 1.810 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 -6.396 1.383 0.721 0.00 0.00 +0.167 A ATOM 14 N LIG 1 -7.380 2.334 0.829 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -8.180 2.671 1.973 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -7.469 2.936 -0.390 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -6.599 2.402 -1.210 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 -5.919 1.436 -0.509 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 -0.464 -1.088 -0.489 0.00 0.00 -0.265 N ATOM 20 H LIG 1 -0.043 -1.315 -1.385 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 0.402 -0.840 0.550 0.00 0.00 +0.268 C ATOM 22 O LIG 1 0.100 -0.604 1.714 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 1.843 -0.904 0.135 0.00 0.00 +0.126 A ATOM 24 N LIG 1 2.071 -1.228 -1.170 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 3.355 -1.302 -1.602 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.412 -1.054 -0.718 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.167 -0.722 0.622 0.00 0.00 -0.029 A ATOM 28 C LIG 1 2.844 -0.649 1.056 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 3.557 -1.658 -3.062 0.00 0.00 +0.038 C ATOM 30 C LIG 1 4.662 -1.041 -3.886 0.00 0.00 +0.010 C ATOM 31 C LIG 1 4.722 -2.499 -3.528 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 5.309 -0.455 1.578 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.241 0.888 2.173 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.610 1.944 1.205 0.00 0.00 +0.091 C ATOM 35 C LIG 1 7.109 2.066 1.338 0.00 0.00 -0.015 C ATOM 36 C LIG 1 7.994 2.027 0.111 0.00 0.00 +0.009 C ATOM 37 C LIG 1 7.819 3.314 0.862 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.546 1.371 2.595 0.00 0.00 +0.023 C ATOM 39 C LIG 1 6.220 1.036 3.269 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 40 ATOM 40 N LIG 1 -4.235 -1.869 -3.035 0.00 0.00 -0.329 N ATOM 41 H LIG 1 -3.394 -1.974 -3.602 0.00 0.00 +0.147 HD BRANCH 40 43 ATOM 42 C LIG 1 -5.468 -1.205 -5.025 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -5.122 -0.844 -3.588 0.00 0.00 +0.099 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 9