REMARK Name = BDB016752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.011 -1.967 -1.246 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.774 -0.663 -1.723 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.490 -0.123 -1.597 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.422 -0.821 -1.048 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.319 0.086 -1.106 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.683 1.260 -1.644 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.641 -2.137 -0.604 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.983 1.100 -1.935 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.477 1.874 -2.364 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.928 -2.687 -0.713 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.856 0.921 1.869 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.589 -0.279 1.198 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.535 -0.780 0.312 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.574 -1.995 -0.573 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.394 -2.574 -1.329 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.928 -1.921 -1.240 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.546 -0.773 -0.777 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.470 -0.495 -1.070 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.368 -2.732 -2.037 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.987 -3.309 -0.143 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.744 -0.088 0.138 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.048 1.082 0.797 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.082 1.586 1.671 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.687 1.025 2.838 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.009 1.546 2.745 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.007 -0.210 -0.645 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.037 0.654 -0.674 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.386 0.342 -0.187 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.089 1.320 0.530 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.384 1.071 0.992 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -4.996 -0.154 0.714 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -4.303 -1.140 0.007 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -3.008 -0.887 -0.453 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.360 -0.456 1.206 0.00 0.00 +0.247 C ATOM 35 N LIG 1 -7.390 0.432 0.920 0.00 0.00 -0.295 N ATOM 36 C LIG 1 -7.338 1.476 -0.112 0.00 0.00 +0.123 C ATOM 37 C LIG 1 -8.714 1.705 -0.765 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -9.759 2.098 0.201 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -11.089 1.888 -0.365 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -9.602 1.421 1.506 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -8.710 0.167 1.494 0.00 0.00 +0.123 C ATOM 42 O LIG 1 -6.521 -1.490 1.851 0.00 0.00 -0.270 OA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5