REMARK Name = BDB053430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.039 -0.327 0.689 0.00 0.00 +0.190 C ATOM 2 N LIG 1 -1.642 -0.852 -0.496 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -2.461 -1.417 -1.541 0.00 0.00 +0.141 C ATOM 4 C LIG 1 -0.277 -0.848 -0.538 0.00 0.00 +0.271 C ATOM 5 O LIG 1 0.454 -1.235 -1.428 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.083 -0.261 0.789 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.305 -0.007 1.275 0.00 0.00 +0.041 C ATOM 8 N LIG 1 -1.074 0.020 1.489 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 2.590 -0.259 0.619 0.00 0.00 -0.019 A ATOM 10 C LIG 1 3.449 0.821 0.371 0.00 0.00 +0.057 A ATOM 11 C LIG 1 4.669 0.556 -0.216 0.00 0.00 +0.167 A ATOM 12 O LIG 1 5.616 1.482 -0.530 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 6.633 0.640 -1.111 0.00 0.00 +0.466 C ATOM 14 O LIG 1 6.291 -0.761 -1.110 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 5.055 -0.721 -0.546 0.00 0.00 +0.166 A ATOM 16 C LIG 1 4.242 -1.807 -0.306 0.00 0.00 +0.050 A ATOM 17 C LIG 1 2.998 -1.570 0.288 0.00 0.00 +0.012 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 -3.356 -0.205 1.038 0.00 0.00 -0.314 N ATOM 19 H LIG 1 -3.374 -0.337 2.050 0.00 0.00 +0.149 HD BRANCH 18 21 ATOM 20 C LIG 1 -4.202 1.378 -0.677 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -4.025 1.089 0.809 0.00 0.00 +0.067 C ATOM 22 C LIG 1 -5.389 1.060 1.500 0.00 0.00 +0.027 C ENDBRANCH 18 21 ENDBRANCH 1 18 TORSDOF 3