REMARK Name = BDB036265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.015 0.180 0.924 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.684 -1.125 0.469 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -0.656 -1.450 0.443 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.748 -2.731 -0.046 0.00 0.00 +0.120 A ATOM 5 C LIG 1 0.551 -3.138 -0.282 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -1.673 -0.559 0.847 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.347 0.636 1.259 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.429 -2.127 0.042 0.00 0.00 -0.230 NA ATOM 9 C LIG 1 -0.012 0.977 1.283 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.530 1.009 -1.519 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.108 1.128 -0.133 0.00 0.00 -0.041 A ATOM 12 C LIG 1 2.389 0.718 1.011 0.00 0.00 -0.010 A ATOM 13 C LIG 1 2.989 0.814 2.280 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.284 1.311 2.424 0.00 0.00 +0.027 A ATOM 15 C LIG 1 4.986 1.722 1.291 0.00 0.00 +0.088 A ATOM 16 C LIG 1 4.416 1.618 0.019 0.00 0.00 +0.031 A BRANCH 15 17 ATOM 17 S LIG 1 6.642 2.343 1.461 0.00 0.00 -0.006 S ATOM 18 O LIG 1 7.172 1.848 2.718 0.00 0.00 -0.170 OA ATOM 19 O LIG 1 7.336 2.096 0.212 0.00 0.00 -0.170 OA ATOM 20 C LIG 1 6.400 4.093 1.620 0.00 0.00 +0.200 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 21 ATOM 21 C LIG 1 1.057 -4.437 -0.833 0.00 0.00 +0.098 C ATOM 22 C LIG 1 0.730 -5.620 0.072 0.00 0.00 +0.030 C BRANCH 21 23 ATOM 23 N LIG 1 0.463 -4.640 -2.160 0.00 0.00 -0.323 NA ATOM 24 H LIG 1 0.890 -5.461 -2.584 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 0.742 -3.850 -2.744 0.00 0.00 +0.119 HD ENDBRANCH 21 23 ENDBRANCH 5 21 BRANCH 6 26 ATOM 26 N LIG 1 -2.983 -0.990 0.788 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -3.144 -1.988 0.815 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.091 -0.198 1.290 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -4.452 0.930 0.364 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.685 0.767 -1.000 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.676 -0.454 -1.843 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -4.719 0.195 -3.226 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -5.287 1.518 -3.107 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -5.069 1.844 -1.793 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -5.244 3.115 -1.285 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -5.017 3.303 0.077 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -4.633 2.222 0.882 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -4.465 2.442 2.195 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7