REMARK Name = BDB059047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.933 -0.936 0.183 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -2.541 0.314 0.462 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -2.413 0.854 1.752 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.656 0.202 2.730 0.00 0.00 +0.143 A ATOM 5 C LIG 1 -1.002 -1.010 2.423 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -1.154 -1.571 1.148 0.00 0.00 +0.052 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.891 -2.725 -1.576 0.00 0.00 +0.241 C ATOM 8 N LIG 1 -2.199 -1.475 -1.095 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -2.781 -0.856 -1.650 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.335 -3.640 -0.984 0.00 0.00 -0.271 OA BRANCH 7 12 ATOM 11 C LIG 1 -2.199 -4.059 -3.625 0.00 0.00 +0.013 C ATOM 12 C LIG 1 -2.357 -2.894 -2.984 0.00 0.00 +0.060 C ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 2 13 ATOM 13 N LIG 1 -3.243 0.978 -0.577 0.00 0.00 -0.330 N ATOM 14 C LIG 1 -4.539 1.546 -0.210 0.00 0.00 +0.129 C BRANCH 13 15 ATOM 15 C LIG 1 -2.362 1.823 -1.427 0.00 0.00 +0.120 C BRANCH 15 16 ATOM 16 C LIG 1 -1.989 3.192 -0.805 0.00 0.00 +0.102 C BRANCH 16 17 ATOM 17 N LIG 1 -1.089 4.072 -1.572 0.00 0.00 -0.307 NA ATOM 18 C LIG 1 -1.600 4.400 -2.899 0.00 0.00 +0.104 C ATOM 19 C LIG 1 0.270 3.535 -1.655 0.00 0.00 +0.104 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 4 20 ATOM 20 O LIG 1 -1.455 0.662 4.011 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 -2.066 1.897 4.362 0.00 0.00 +0.277 C ENDBRANCH 4 20 BRANCH 5 22 ATOM 22 N LIG 1 -0.173 -1.612 3.395 0.00 0.00 -0.281 N ATOM 23 H LIG 1 -0.289 -1.212 4.319 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.175 -1.946 3.243 0.00 0.00 +0.221 A ATOM 25 N LIG 1 1.742 -1.975 2.029 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 3.053 -2.237 1.933 0.00 0.00 +0.128 A ATOM 27 C LIG 1 3.826 -2.465 3.053 0.00 0.00 +0.063 A ATOM 28 C LIG 1 3.171 -2.417 4.257 0.00 0.00 +0.118 A ATOM 29 N LIG 1 1.860 -2.154 4.378 0.00 0.00 -0.223 NA BRANCH 26 30 ATOM 30 N LIG 1 3.701 -2.201 0.663 0.00 0.00 -0.299 N ATOM 31 H LIG 1 4.243 -3.062 0.606 0.00 0.00 +0.154 HD BRANCH 30 32 ATOM 32 C LIG 1 2.972 -2.062 -0.549 0.00 0.00 +0.043 A ATOM 33 C LIG 1 2.654 -0.808 -1.095 0.00 0.00 +0.032 A ATOM 34 C LIG 1 1.891 -0.764 -2.281 0.00 0.00 +0.013 A ATOM 35 C LIG 1 1.440 -1.926 -2.903 0.00 0.00 +0.001 A ATOM 36 C LIG 1 1.730 -3.161 -2.341 0.00 0.00 +0.002 A ATOM 37 C LIG 1 2.484 -3.228 -1.171 0.00 0.00 +0.024 A BRANCH 33 38 ATOM 38 P LIG 1 3.169 0.751 -0.433 0.00 0.00 +0.112 P ATOM 39 O LIG 1 3.071 1.901 -1.416 0.00 0.00 -0.317 OA ATOM 40 C LIG 1 4.857 0.691 0.179 0.00 0.00 +0.086 C ATOM 41 C LIG 1 2.210 1.177 1.023 0.00 0.00 +0.086 C ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 5 22 TORSDOF 12