REMARK Name = BDB055107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.887 3.072 0.513 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.661 2.436 0.274 0.00 0.00 +0.108 A ATOM 3 C LIG 1 0.504 3.129 -0.024 0.00 0.00 +0.180 A ATOM 4 N LIG 1 1.557 2.280 -0.207 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.080 1.059 -0.036 0.00 0.00 +0.141 A ATOM 6 N LIG 1 0.571 4.474 -0.113 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -0.606 5.100 0.114 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.264 1.124 0.260 0.00 0.00 -0.335 N ATOM 9 H LIG 1 -0.863 0.336 0.448 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -1.815 4.478 0.419 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 -3.211 5.467 0.675 0.00 0.00 -0.080 Cl ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 -4.998 0.285 1.386 0.00 0.00 -0.294 NA ATOM 13 C LIG 1 -5.015 1.028 0.104 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -3.619 1.578 -0.271 0.00 0.00 +0.120 C ATOM 15 N LIG 1 -3.093 2.419 0.822 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.083 1.736 2.131 0.00 0.00 +0.120 C ATOM 17 C LIG 1 -4.489 1.181 2.452 0.00 0.00 +0.103 C BRANCH 12 18 ATOM 18 C LIG 1 -6.333 -0.224 1.752 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 -8.442 -3.345 -1.712 0.00 0.00 +0.089 C ATOM 20 C LIG 1 -7.711 -2.641 -0.645 0.00 0.00 +0.135 A ATOM 21 O LIG 1 -6.837 -3.386 0.081 0.00 0.00 -0.360 OA ATOM 22 N LIG 1 -6.234 -2.589 1.037 0.00 0.00 -0.082 NA ATOM 23 C LIG 1 -6.749 -1.362 0.870 0.00 0.00 +0.098 A ATOM 24 C LIG 1 -7.699 -1.349 -0.181 0.00 0.00 +0.072 A ENDBRANCH 18 23 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 C LIG 1 1.852 -0.187 -0.130 0.00 0.00 +0.019 A ATOM 26 C LIG 1 3.246 -0.114 -0.323 0.00 0.00 +0.034 A ATOM 27 C LIG 1 4.069 -1.250 -0.423 0.00 0.00 +0.030 A ATOM 28 C LIG 1 3.425 -2.492 -0.318 0.00 0.00 +0.023 A ATOM 29 C LIG 1 2.044 -2.597 -0.131 0.00 0.00 +0.002 A ATOM 30 C LIG 1 1.260 -1.450 -0.037 0.00 0.00 +0.011 A BRANCH 27 31 ATOM 31 N LIG 1 5.439 -1.155 -0.599 0.00 0.00 -0.327 N ATOM 32 C LIG 1 6.212 -2.253 -1.207 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.455 -1.723 -1.960 0.00 0.00 +0.103 C ATOM 34 N LIG 1 8.374 -0.875 -1.173 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 9.499 -1.639 -0.641 0.00 0.00 +0.105 C ATOM 36 C LIG 1 7.658 -0.177 -0.081 0.00 0.00 +0.103 C ATOM 37 C LIG 1 6.166 0.107 -0.375 0.00 0.00 +0.120 C ENDBRANCH 27 31 ENDBRANCH 5 25 TORSDOF 5