REMARK Name = BDB036138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.240 -1.150 -1.774 0.00 0.00 +0.187 A ATOM 2 C LIG 1 -3.883 0.067 -2.007 0.00 0.00 +0.280 A ATOM 3 N LIG 1 -4.977 0.144 -2.810 0.00 0.00 -0.106 NA ATOM 4 N LIG 1 -5.447 -0.987 -3.380 0.00 0.00 -0.134 NA ATOM 5 C LIG 1 -4.809 -2.143 -3.115 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -3.728 -2.283 -2.333 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 2.571 -0.608 0.275 0.00 0.00 -0.302 NA ATOM 8 C LIG 1 1.972 -0.313 -1.036 0.00 0.00 +0.085 C ATOM 9 C LIG 1 0.934 -1.370 -1.420 0.00 0.00 +0.025 C ATOM 10 C LIG 1 -0.145 -1.464 -0.336 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -1.212 -0.340 -0.377 0.00 0.00 +0.115 C ATOM 12 N LIG 1 -2.093 -1.275 -0.983 0.00 0.00 -0.310 N ATOM 13 C LIG 1 -1.300 -2.422 -0.705 0.00 0.00 +0.115 C ATOM 14 C LIG 1 0.488 -1.730 1.027 0.00 0.00 +0.025 C ATOM 15 C LIG 1 1.537 -0.658 1.326 0.00 0.00 +0.085 C BRANCH 7 16 ATOM 16 C LIG 1 3.614 0.370 0.647 0.00 0.00 +0.088 C BRANCH 16 25 ATOM 17 C LIG 1 10.770 -1.554 2.192 0.00 0.00 +0.015 C ATOM 18 C LIG 1 9.679 -0.593 1.760 0.00 0.00 +0.053 C ATOM 19 C LIG 1 10.106 0.303 0.618 0.00 0.00 +0.137 C ATOM 20 O LIG 1 11.181 0.890 0.563 0.00 0.00 -0.297 OA ATOM 21 C LIG 1 9.055 0.386 -0.463 0.00 0.00 +0.081 C ATOM 22 C LIG 1 7.821 -0.264 0.202 0.00 0.00 -0.022 C ATOM 23 C LIG 1 7.018 0.776 1.032 0.00 0.00 +0.007 C ATOM 24 C LIG 1 5.895 1.419 0.222 0.00 0.00 +0.005 C ATOM 25 C LIG 1 4.859 0.385 -0.274 0.00 0.00 +0.003 C ATOM 26 C LIG 1 5.475 -1.021 -0.417 0.00 0.00 +0.005 C ATOM 27 C LIG 1 6.931 -0.940 -0.864 0.00 0.00 +0.007 C ATOM 28 C LIG 1 8.474 -1.306 1.141 0.00 0.00 +0.018 C ENDBRANCH 16 25 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 2 29 ATOM 29 O LIG 1 -3.383 1.226 -1.428 0.00 0.00 -0.434 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.231 2.307 -1.408 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -5.111 2.518 -0.336 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -5.915 3.662 -0.297 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -5.849 4.564 -1.352 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -6.632 5.653 -1.334 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.982 4.362 -2.425 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -4.158 3.236 -2.449 0.00 0.00 +0.050 A BRANCH 31 37 ATOM 37 C LIG 1 -5.146 1.575 0.796 0.00 0.00 +0.251 C ATOM 38 N LIG 1 -6.302 0.796 1.027 0.00 0.00 -0.292 N ATOM 39 O LIG 1 -4.139 1.534 1.506 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -6.236 -0.075 2.229 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -5.518 -1.399 1.943 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -7.556 -0.307 2.965 0.00 0.00 +0.028 C ENDBRANCH 38 40 BRANCH 38 43 ATOM 43 C LIG 1 -7.397 0.684 0.019 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -7.658 -0.738 -0.479 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -8.687 1.369 0.473 0.00 0.00 +0.028 C ENDBRANCH 38 43 ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8