REMARK Name = BDB004396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.970 -0.113 1.226 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.731 -0.590 0.907 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.551 -0.290 0.101 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -0.349 -1.425 0.437 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.266 -2.441 1.382 0.00 0.00 +0.078 C ATOM 6 C LIG 1 0.468 -3.805 0.711 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.542 -2.562 2.679 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.595 -1.624 -0.116 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -2.024 -0.614 -0.942 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -1.744 0.308 -0.655 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.262 -2.633 0.087 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.582 -1.773 1.624 0.00 0.00 +0.092 A ATOM 13 N LIG 1 2.634 -2.081 2.376 0.00 0.00 -0.175 NA ATOM 14 N LIG 1 3.475 -1.046 2.115 0.00 0.00 -0.263 N ATOM 15 H LIG 1 4.386 -1.009 2.561 0.00 0.00 +0.190 HD ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.654 0.987 0.839 0.00 0.00 -0.283 N ATOM 17 H LIG 1 3.246 1.640 0.179 0.00 0.00 +0.155 HD BRANCH 16 25 ATOM 18 C LIG 1 7.615 0.098 3.465 0.00 0.00 +0.088 C ATOM 19 C LIG 1 6.883 0.995 2.515 0.00 0.00 +0.129 A ATOM 20 N LIG 1 7.528 2.088 2.092 0.00 0.00 -0.232 NA ATOM 21 C LIG 1 6.837 2.852 1.215 0.00 0.00 +0.083 A ATOM 22 C LIG 1 5.559 2.528 0.777 0.00 0.00 +0.078 A ATOM 23 S LIG 1 4.969 3.709 -0.331 0.00 0.00 -0.092 S ATOM 24 C LIG 1 6.402 4.633 -0.223 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.946 1.362 1.253 0.00 0.00 +0.142 A ATOM 26 C LIG 1 7.315 4.064 0.635 0.00 0.00 +0.036 A ATOM 27 N LIG 1 5.651 0.605 2.133 0.00 0.00 -0.216 NA ENDBRANCH 16 25 ENDBRANCH 1 16 BRANCH 9 28 ATOM 28 C LIG 1 -3.358 -0.667 -1.556 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -4.324 0.074 -0.637 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -5.112 -0.663 0.262 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.987 -0.023 1.141 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.079 1.367 1.143 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.290 2.115 0.273 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.412 1.476 -0.605 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.279 -0.142 -3.028 0.00 0.00 +0.111 C BRANCH 35 36 ATOM 36 N LIG 1 -4.354 -0.558 -3.957 0.00 0.00 -0.306 NA ATOM 37 C LIG 1 -4.025 -0.143 -5.323 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -5.668 -0.036 -3.584 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 6