REMARK Name = BDB013541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.315 2.365 -3.027 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.984 1.892 -2.515 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.520 0.571 -2.666 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.746 0.233 -2.138 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.529 1.147 -1.416 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.025 2.438 -1.232 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.204 2.806 -1.784 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.347 -0.557 -3.264 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 1.972 -1.352 -2.182 0.00 0.00 -0.177 NA ATOM 10 S LIG 1 1.507 -2.972 -2.042 0.00 0.00 +0.032 S ATOM 11 O LIG 1 2.353 -3.746 -2.927 0.00 0.00 -0.158 OA ATOM 12 O LIG 1 0.065 -3.058 -2.134 0.00 0.00 -0.158 OA ATOM 13 C LIG 1 1.998 -3.260 -0.349 0.00 0.00 +0.189 C ATOM 14 C LIG 1 3.465 -2.870 -0.102 0.00 0.00 +0.016 C ATOM 15 C LIG 1 3.782 -1.407 -0.506 0.00 0.00 +0.009 C ATOM 16 C LIG 1 3.151 -0.380 0.457 0.00 0.00 +0.005 C ATOM 17 C LIG 1 3.208 -0.793 1.934 0.00 0.00 +0.000 C ATOM 18 C LIG 1 4.204 -1.914 2.186 0.00 0.00 +0.000 C ATOM 19 C LIG 1 3.856 -3.163 1.366 0.00 0.00 +0.005 C ATOM 20 C LIG 1 3.412 -1.101 -1.970 0.00 0.00 +0.113 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 21 ATOM 21 C LIG 1 -2.882 0.707 -0.868 0.00 0.00 +0.060 C BRANCH 21 22 ATOM 22 C LIG 1 -3.016 0.872 0.656 0.00 0.00 -0.034 A ATOM 23 C LIG 1 -2.624 -0.188 1.546 0.00 0.00 -0.017 A ATOM 24 C LIG 1 -2.050 -1.492 1.054 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -2.802 0.014 2.938 0.00 0.00 +0.116 A ATOM 26 N LIG 1 -2.576 -0.841 3.998 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -2.869 -0.201 5.121 0.00 0.00 -0.065 NA ATOM 28 N LIG 1 -3.262 1.044 4.780 0.00 0.00 -0.247 N ATOM 29 C LIG 1 -3.599 1.983 5.814 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -3.288 1.222 3.420 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -3.657 2.279 2.581 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -3.509 2.074 1.201 0.00 0.00 +0.007 A ENDBRANCH 21 22 BRANCH 21 33 ATOM 33 C LIG 1 -4.080 1.157 -1.731 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -4.181 2.620 -2.084 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -4.951 3.397 -1.537 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.387 3.001 -3.108 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -2.815 2.280 -3.442 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 21 33 ENDBRANCH 5 21 TORSDOF 7