REMARK Name = BDB029597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.204 -3.792 -1.037 0.00 0.00 +0.138 C ATOM 2 N LIG 1 -1.367 -2.510 -0.361 0.00 0.00 -0.272 N ATOM 3 C LIG 1 -2.609 -1.810 -0.502 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -2.743 -0.412 -0.445 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -4.011 0.193 -0.604 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -5.167 -0.556 -0.815 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -5.031 -1.943 -0.873 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.608 0.539 -0.353 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.647 1.558 -1.040 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.570 0.267 0.518 0.00 0.00 -0.286 N ATOM 11 C LIG 1 -0.569 -0.903 1.379 0.00 0.00 +0.204 C ATOM 12 C LIG 1 -3.779 -2.556 -0.732 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -0.367 -2.161 0.549 0.00 0.00 +0.237 C ATOM 14 O LIG 1 0.610 -2.889 0.752 0.00 0.00 -0.274 OA ENDROOT BRANCH 6 15 ATOM 15 N LIG 1 -6.448 0.008 -0.921 0.00 0.00 -0.313 N ATOM 16 H LIG 1 -7.104 -0.562 -1.447 0.00 0.00 +0.152 HD BRANCH 15 17 ATOM 17 C LIG 1 -6.987 1.222 -0.460 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -8.081 1.796 -1.101 0.00 0.00 +0.158 A ATOM 19 N LIG 1 -8.646 2.969 -0.734 0.00 0.00 -0.156 NA ATOM 20 N LIG 1 -8.123 3.651 0.311 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -7.054 3.143 0.956 0.00 0.00 +0.137 A ATOM 22 C LIG 1 -6.461 1.944 0.605 0.00 0.00 +0.046 A ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 10 23 ATOM 23 C LIG 1 0.478 1.278 0.704 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 1.546 1.305 -0.403 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 2.282 2.536 -0.320 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.970 2.506 -1.007 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 2.503 0.086 -0.383 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 3.121 -0.256 0.916 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 4.042 0.768 1.440 0.00 0.00 +0.120 C ATOM 30 C LIG 1 5.357 0.869 0.699 0.00 0.00 -0.030 A ATOM 31 C LIG 1 5.885 -0.250 0.027 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.126 -0.152 -0.615 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.847 1.041 -0.575 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.333 2.145 0.101 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.086 -1.528 -0.065 0.00 0.00 +0.051 C ATOM 36 C LIG 1 6.095 2.059 0.739 0.00 0.00 +0.005 A ATOM 37 C LIG 1 3.847 -1.540 0.848 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 7