REMARK Name = BDB005593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.464 -1.099 0.541 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -0.792 -0.330 1.500 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.540 0.043 1.294 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.233 -0.330 0.133 0.00 0.00 +0.020 A ATOM 5 C LIG 1 2.636 0.114 -0.034 0.00 0.00 +0.045 A ATOM 6 N LIG 1 3.310 -0.201 -1.209 0.00 0.00 -0.343 N ATOM 7 H LIG 1 2.731 -0.108 -2.040 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 4.713 0.138 -1.407 0.00 0.00 +0.102 C ATOM 9 C LIG 1 5.050 1.433 -0.679 0.00 0.00 +0.023 C ATOM 10 C LIG 1 4.627 1.358 0.792 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.228 0.826 0.946 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.500 1.177 2.195 0.00 0.00 +0.254 A ATOM 13 O LIG 1 3.037 1.799 3.107 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 0.563 -1.125 -0.807 0.00 0.00 +0.012 A ATOM 15 N LIG 1 1.194 0.787 2.280 0.00 0.00 -0.322 N ATOM 16 H LIG 1 0.718 1.042 3.134 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -0.768 -1.505 -0.606 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -2.901 -1.514 0.753 0.00 0.00 +0.119 C BRANCH 18 20 ATOM 19 C LIG 1 -5.098 -1.762 -0.164 0.00 0.00 +0.105 C ATOM 20 N LIG 1 -3.829 -1.033 -0.293 0.00 0.00 -0.299 NA BRANCH 20 21 ATOM 21 C LIG 1 -4.085 0.428 -0.185 0.00 0.00 +0.112 C BRANCH 21 22 ATOM 22 C LIG 1 -3.132 1.249 -1.066 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 O LIG 1 -3.107 0.700 -2.383 0.00 0.00 -0.394 OA ATOM 24 H LIG 1 -3.125 -0.268 -2.236 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5