REMARK Name = BDB000371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.049 -0.195 -1.857 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.144 -1.117 -2.997 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -1.219 -0.584 -3.866 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -2.004 -1.660 -2.923 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.942 -0.963 -0.514 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 -2.202 -1.807 -0.161 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 -1.959 -3.325 -0.427 0.00 0.00 -0.014 C ATOM 8 C LIG 1 -1.019 -3.996 0.584 0.00 0.00 +0.007 C ATOM 9 C LIG 1 -3.278 -4.107 -0.493 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 -2.639 -1.528 1.299 0.00 0.00 +0.039 C BRANCH 10 15 ATOM 11 C LIG 1 -5.556 0.937 1.185 0.00 0.00 +0.162 A ATOM 12 C LIG 1 -4.974 2.090 1.746 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -3.625 2.073 2.124 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -2.862 0.910 1.976 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.434 -0.247 1.440 0.00 0.00 -0.043 A ATOM 16 C LIG 1 -4.780 -0.219 1.036 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 O LIG 1 -5.785 3.193 1.862 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -5.425 4.142 2.859 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 11 19 ATOM 19 O LIG 1 -6.883 1.032 0.837 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -7.493 -0.123 0.252 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 -8.962 0.209 -0.009 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 -9.720 -0.975 -0.600 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 -9.358 -0.689 -2.937 0.00 0.00 +0.193 C ATOM 24 O LIG 1 -9.102 -1.483 -1.783 0.00 0.00 -0.383 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 0.108 0.840 -2.040 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 0.086 1.806 -0.993 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -0.833 2.072 -0.831 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 1.504 0.198 -2.162 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 2.723 1.137 -2.048 0.00 0.00 +0.074 C ATOM 30 C LIG 1 2.556 2.445 -2.819 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 3.148 1.358 -0.589 0.00 0.00 +0.216 C ATOM 32 N LIG 1 4.314 2.096 -0.458 0.00 0.00 -0.314 N ATOM 33 H LIG 1 4.918 2.148 -1.269 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 2.573 0.868 0.380 0.00 0.00 -0.276 OA BRANCH 32 35 ATOM 35 C LIG 1 4.992 2.175 0.824 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 C LIG 1 5.794 0.893 1.130 0.00 0.00 +0.103 C BRANCH 36 37 ATOM 37 N LIG 1 6.819 0.609 0.099 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 8.045 1.425 0.269 0.00 0.00 +0.115 C ATOM 39 C LIG 1 8.943 0.996 1.456 0.00 0.00 +0.130 C ATOM 40 C LIG 1 10.248 1.785 1.461 0.00 0.00 +0.039 C ATOM 41 O LIG 1 9.278 -0.398 1.373 0.00 0.00 -0.371 OA ATOM 42 C LIG 1 8.096 -1.213 1.320 0.00 0.00 +0.130 C ATOM 43 C LIG 1 8.546 -2.665 1.215 0.00 0.00 +0.039 C ATOM 44 C LIG 1 7.218 -0.819 0.112 0.00 0.00 +0.115 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 20