REMARK Name = BDB009182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.291 0.969 0.133 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -0.230 -0.133 0.271 0.00 0.00 +0.218 C ATOM 3 N LIG 1 -1.340 -0.611 -0.404 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -1.647 -1.546 -0.165 0.00 0.00 +0.155 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.085 0.042 -1.407 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -3.196 -0.641 -1.919 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -4.024 -0.059 -2.894 0.00 0.00 -0.045 A ATOM 8 C LIG 1 -3.710 1.214 -3.378 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.595 1.892 -2.888 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.790 1.311 -1.903 0.00 0.00 +0.023 A BRANCH 7 11 ATOM 11 C LIG 1 -5.268 -0.776 -3.362 0.00 0.00 +0.041 C BRANCH 11 12 ATOM 12 C LIG 1 -6.503 -0.408 -2.532 0.00 0.00 +0.062 C BRANCH 12 13 ATOM 13 C LIG 1 -6.380 -0.927 -1.103 0.00 0.00 +0.065 A ATOM 14 C LIG 1 -6.115 0.026 0.018 0.00 0.00 -0.016 A ATOM 15 C LIG 1 -6.161 1.513 -0.197 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -6.123 2.322 1.104 0.00 0.00 +0.005 C ATOM 17 C LIG 1 -5.108 1.744 2.082 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.448 0.291 2.422 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.823 -0.519 1.212 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -5.870 -1.992 1.389 0.00 0.00 +0.268 A ATOM 21 O LIG 1 -5.592 -2.525 2.458 0.00 0.00 -0.266 OA ATOM 22 N LIG 1 -6.258 -2.713 0.293 0.00 0.00 -0.243 N ATOM 23 H LIG 1 -6.301 -3.722 0.394 0.00 0.00 +0.192 HD ATOM 24 N LIG 1 -6.465 -2.216 -0.954 0.00 0.00 -0.176 NA ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 3 5 BRANCH 2 25 ATOM 25 C LIG 1 0.271 -1.129 1.308 0.00 0.00 +0.104 C BRANCH 25 26 ATOM 26 C LIG 1 1.683 -0.790 1.780 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 2.710 -1.109 0.707 0.00 0.00 +0.164 C ATOM 28 O LIG 1 2.469 -1.901 -0.204 0.00 0.00 -0.292 OA BRANCH 27 29 ATOM 29 C LIG 1 4.059 -0.475 0.786 0.00 0.00 +0.018 A ATOM 30 C LIG 1 4.516 0.171 1.941 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.792 0.742 1.966 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.622 0.654 0.848 0.00 0.00 +0.128 A ATOM 33 C LIG 1 6.168 0.027 -0.313 0.00 0.00 +0.047 A ATOM 34 C LIG 1 4.894 -0.545 -0.339 0.00 0.00 +0.015 A BRANCH 32 35 ATOM 35 O LIG 1 7.849 1.271 0.937 0.00 0.00 -0.456 OA BRANCH 35 36 ATOM 36 C LIG 1 8.936 0.595 0.431 0.00 0.00 +0.128 A ATOM 37 C LIG 1 9.808 1.314 -0.387 0.00 0.00 +0.046 A ATOM 38 C LIG 1 10.946 0.695 -0.904 0.00 0.00 +0.004 A ATOM 39 C LIG 1 11.218 -0.637 -0.590 0.00 0.00 +0.000 A ATOM 40 C LIG 1 10.358 -1.349 0.247 0.00 0.00 +0.004 A ATOM 41 C LIG 1 9.219 -0.732 0.766 0.00 0.00 +0.046 A ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 10