REMARK Name = BDB051384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.474 -2.416 -0.416 0.00 0.00 -0.293 N ATOM 2 C LIG 1 -0.770 -1.724 0.778 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.020 -1.653 1.718 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.059 -0.988 0.886 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.602 -0.309 -0.210 0.00 0.00 +0.062 A ATOM 6 C LIG 1 -3.755 0.484 -0.066 0.00 0.00 +0.163 A ATOM 7 C LIG 1 -4.395 0.570 1.187 0.00 0.00 +0.162 A ATOM 8 C LIG 1 -3.823 -0.089 2.288 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -2.658 -0.853 2.142 0.00 0.00 +0.017 A BRANCH 7 10 ATOM 10 O LIG 1 -5.541 1.314 1.288 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 -6.377 1.091 2.418 0.00 0.00 +0.277 C ENDBRANCH 7 10 BRANCH 6 12 ATOM 12 O LIG 1 -4.117 1.094 -1.244 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 -4.992 2.221 -1.183 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 -4.873 2.980 -2.504 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 -5.683 4.267 -2.489 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 -7.072 3.957 -2.378 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 -7.861 5.136 -2.289 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 4 BRANCH 1 18 ATOM 18 C LIG 1 -1.494 -3.342 -0.964 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -1.422 -3.447 -2.488 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.405 -4.721 -0.306 0.00 0.00 +0.028 C ENDBRANCH 1 18 BRANCH 1 21 ATOM 21 C LIG 1 0.947 -2.789 -0.557 0.00 0.00 +0.129 C BRANCH 21 22 ATOM 22 C LIG 1 1.849 -1.543 -0.757 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 N LIG 1 1.444 -0.775 -1.971 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 0.430 -0.929 -2.098 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 1.886 -1.190 -2.810 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 3.355 -1.889 -0.877 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 O LIG 1 4.074 -0.687 -1.198 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 3.412 -0.115 -1.645 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.986 -2.543 0.365 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 4.056 -1.623 1.605 0.00 0.00 +0.074 C ATOM 31 C LIG 1 3.595 -2.386 2.855 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 5.965 -0.369 0.721 0.00 0.00 -0.315 N ATOM 33 H LIG 1 5.358 -0.293 -0.097 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 5.454 -1.028 1.821 0.00 0.00 +0.216 C ATOM 35 O LIG 1 6.040 -1.077 2.899 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 7.163 0.429 0.772 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 6.889 1.853 1.251 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 5.740 4.040 0.789 0.00 0.00 +0.004 C ATOM 39 C LIG 1 5.962 2.621 0.306 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 19