REMARK Name = BDB036352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.734 0.230 1.421 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.241 -0.274 2.652 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.030 -0.848 2.758 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.306 -1.285 4.098 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.268 -1.044 4.964 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.839 -0.925 1.598 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.393 -0.427 0.365 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.046 -0.293 4.186 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.116 0.137 0.297 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.112 0.844 1.257 0.00 0.00 +0.121 C BRANCH 10 12 ATOM 11 C LIG 1 -4.521 0.530 1.454 0.00 0.00 +0.109 C ATOM 12 N LIG 1 -3.205 -0.143 1.314 0.00 0.00 -0.286 NA ATOM 13 C LIG 1 -3.162 -1.172 0.262 0.00 0.00 +0.130 C ATOM 14 C LIG 1 -3.435 -0.697 -1.181 0.00 0.00 +0.187 C ATOM 15 O LIG 1 -4.827 -0.378 -1.360 0.00 0.00 -0.486 OA ATOM 16 C LIG 1 -5.090 0.915 -1.011 0.00 0.00 +0.144 A ATOM 17 C LIG 1 -5.576 1.753 -2.011 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -5.851 3.082 -1.715 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.637 3.518 -0.419 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -5.191 2.722 0.578 0.00 0.00 -0.255 NA ATOM 21 C LIG 1 -4.937 1.416 0.282 0.00 0.00 +0.100 A BRANCH 11 23 ATOM 22 C LIG 1 -5.409 -1.193 3.132 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -5.679 -0.422 1.845 0.00 0.00 +0.022 C ENDBRANCH 11 23 BRANCH 14 24 ATOM 24 C LIG 1 -3.082 -1.783 -2.215 0.00 0.00 +0.042 C ATOM 25 C LIG 1 -3.876 -3.076 -2.076 0.00 0.00 +0.007 C ENDBRANCH 14 24 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.241 -0.531 -0.904 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.676 -0.010 -0.707 0.00 0.00 -0.035 A ATOM 28 C LIG 1 3.956 1.383 -0.763 0.00 0.00 -0.023 A ATOM 29 C LIG 1 2.896 2.410 -1.040 0.00 0.00 +0.046 C ATOM 30 C LIG 1 5.279 1.777 -0.574 0.00 0.00 +0.068 A ATOM 31 N LIG 1 5.811 3.100 -0.577 0.00 0.00 -0.262 N ATOM 32 H LIG 1 5.420 3.581 0.237 0.00 0.00 +0.168 HD ATOM 33 N LIG 1 7.250 2.957 -0.445 0.00 0.00 -0.161 NA ATOM 34 H LIG 1 7.651 3.133 -1.373 0.00 0.00 +0.168 HD ATOM 35 N LIG 1 7.494 1.588 -0.084 0.00 0.00 -0.252 N ATOM 36 C LIG 1 8.763 0.959 -0.404 0.00 0.00 +0.151 C ATOM 37 C LIG 1 6.312 0.874 -0.300 0.00 0.00 +0.068 A ATOM 38 C LIG 1 6.056 -0.475 -0.233 0.00 0.00 +0.026 A ATOM 39 C LIG 1 4.741 -0.911 -0.437 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 40 ATOM 40 C LIG 1 2.105 -1.955 -1.472 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 2.668 -2.030 -2.861 0.00 0.00 +0.306 C ATOM 42 O LIG 1 2.346 -1.333 -3.809 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 3.594 -2.997 -2.999 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 3.874 -2.926 -3.936 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 26 40 ENDBRANCH 7 26 TORSDOF 9